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Impurities and reference standards

Methotrexate impurity 39

Also known as alpha-Monoethyl methotrexate, Methotrexate alpha-monoethyl ester, (4S)-4-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]-5-ethoxy-5-oxopentanoic acid

CAS 65148-63-2Formula C22H26N8O5Molar mass 482.50 g/mol
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Methotrexate impurity 39 chemical structure, C22H26N8O5, CAS 65148-63-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
65148-63-2
Formula
C22H26N8O5
Molar mass
482.50 g/mol
HS code
293359
Category
Impurities and reference standards

What is Methotrexate impurity 39?

Plain description, key identifiers and synonyms

Methotrexate impurity 39 is a chemical substance with the molecular formula C22H26N8O5 and a molar mass of 482.50 g/mol. Its CAS registry number is 65148-63-2. The IUPAC name is (4S)-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-ethoxy-5-oxopentanoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4S)-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-ethoxy-5-oxopentanoic acid
CAS number
65148-63-2
Molecular formula
C22H26N8O5
UNII
53SJL9SY58
InChIKey
MVIRCEDDERYMPC-HNNXBMFYSA-N
InChI
InChI=1S/C22H26N8O5/c1-3-35-21(34)15(8-9-16(31)32)27-20(33)12-4-6-14(7-5-12)30(2)11-13-10-25-19-17(26-13)18(23)28-22(24)29-19/h4-7,10,15H,3,8-9,11H2,1-2H3,(H,27,33)(H,31,32)(H4,23,24,25,28,29)/t15-/m0/s1
Canonical SMILES
CCOC(=O)C(CCC(=O)O)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1
Isomeric SMILES
CCOC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N

Synonyms

  • alpha-Monoethyl methotrexate
  • Methotrexate alpha-monoethyl ester
  • (4S)-4-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]-5-ethoxy-5-oxopentanoic acid
  • 1-Ethyl N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamate
  • (S)-4-(4-(((2,4-Diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)-5-ethoxy-5-oxopentanoic acid
  • L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, 1-ethyl ester
  • Methotrexate |A-monoethyl ester, |A-Monoethyl methotrexate, (S)-4-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)-5-ethoxy-5-oxopentanoic acid

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
482.50 g/molcalc.
Exact mass
482.2026 Dacalc.
LogP (octanol/water)
0.75calc.
Topological polar surface area
199.5 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
10calc.
Heavy atoms
35calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.32calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccc(NCc2cnc3ncncc3n2)cc1

c1ccc(NCc2cnc3ncncc3n2)cc1

3 rings, 18 atoms.

202 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Methotrexate impurity 39 suppliers

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Methotrexate impurity 39 price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Methotrexate impurity 39 is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Methotrexate impurity 39 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Methotrexate impurity 39, based on the data on this page

What is Methotrexate impurity 39?

Methotrexate impurity 39 is a chemical substance with the molecular formula C22H26N8O5 and a molar mass of 482.50 g/mol. Its CAS registry number is 65148-63-2. The IUPAC name is (4S)-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-ethoxy-5-oxopentanoic acid.

What is the CAS number of Methotrexate impurity 39?

The CAS registry number of Methotrexate impurity 39 is 65148-63-2.

What is the molecular formula and weight of Methotrexate impurity 39?

The molecular formula of Methotrexate impurity 39 is C22H26N8O5 and its molar mass is 482.50 g/mol.

Is Methotrexate impurity 39 hazardous?

No GHS hazard classification for Methotrexate impurity 39 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Methotrexate impurity 39?

Methotrexate impurity 39 is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Methotrexate impurity 39?

Post a free request on CompoundList and suppliers of Methotrexate impurity 39 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Methotrexate impurity 39?

Suppliers quote Methotrexate impurity 39 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Methotrexate impurity 39

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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