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Amino acids and derivatives

Iodomelphalan

Also known as 4-(Bis(2-chloroethyl)amino)-2-iodo-L-phenylalanine, 4-[Bis(2-chloroethyl)amino]-2-iodo-L-phenylalanine, 3-(4-(Bis(2-chloroethyl)amino)-2-iodophenyl)-L-alanine

CAS 51554-04-2Formula C13H17Cl2IN2O2Molar mass 431.10 g/mol
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Iodomelphalan chemical structure, C13H17Cl2IN2O2, CAS 51554-04-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
51554-04-2
Formula
C13H17Cl2IN2O2
Molar mass
431.10 g/mol
HS code
292249
Category
Amino acids and derivatives

What is Iodomelphalan?

Plain description, key identifiers and synonyms

Iodomelphalan is a chemical substance with the molecular formula C13H17Cl2IN2O2 and a molar mass of 431.10 g/mol. Its CAS registry number is 51554-04-2. The IUPAC name is (2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]-2-iodophenyl]propanoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]-2-iodophenyl]propanoic acid
CAS number
51554-04-2 CAS number cross-checked
Molecular formula
C13H17Cl2IN2O2
InChIKey
SVVJSDYLMJZYBX-LBPRGKRZSA-N
InChI
InChI=1S/C13H17Cl2IN2O2/c14-3-5-18(6-4-15)10-2-1-9(11(16)8-10)7-12(17)13(19)20/h1-2,8,12H,3-7,17H2,(H,19,20)/t12-/m0/s1
Canonical SMILES
NC(Cc1ccc(N(CCCl)CCCl)cc1I)C(=O)O
Isomeric SMILES
C1=CC(=C(C=C1N(CCCl)CCCl)I)C[C@@H](C(=O)O)N

Synonyms

  • 4-(Bis(2-chloroethyl)amino)-2-iodo-L-phenylalanine
  • 4-[Bis(2-chloroethyl)amino]-2-iodo-L-phenylalanine
  • 3-(4-(Bis(2-chloroethyl)amino)-2-iodophenyl)-L-alanine
  • L-Phenylalanine, 4-(bis(2-chloroethyl)amino)-2-iodo-
  • (2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]-2-iodophenyl]propanoic acid
  • 4-[Bis(2-chloroethyl)amino]-2-iodophenylalanine

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
431.10 g/molcalc.
Exact mass
429.9712 Dacalc.
LogP (octanol/water)
2.53calc.
Topological polar surface area
66.56 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
8calc.
Heavy atoms
20calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.46calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (0 violations)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, c1ccccc1

c1ccccc1

1 ring, 6 atoms, the Benzene ring system.

485,677 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.

Iodomelphalan suppliers

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Iodomelphalan 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 Iodomelphalan is traded under.

HS 2922.49Indicative HS code

Amino-acids, other than those containing more than one kind of oxygen function, and…

World exports in 2024
$3.88B
−11.5% vs 2023, imports $3.87B
2019 to 2024
Top exporters
  1. China38.7%
  2. India * partner reported8.3%
  3. Germany8.1%
Top importers
  1. United States13.4%
  2. Germany11.1%
  3. Japan6.6%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Iodomelphalan, based on the data on this page

What is Iodomelphalan?

Iodomelphalan is a chemical substance with the molecular formula C13H17Cl2IN2O2 and a molar mass of 431.10 g/mol. Its CAS registry number is 51554-04-2. The IUPAC name is (2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]-2-iodophenyl]propanoic acid.

What is the CAS number of Iodomelphalan?

The CAS registry number of Iodomelphalan is 51554-04-2.

What is the molecular formula and weight of Iodomelphalan?

The molecular formula of Iodomelphalan is C13H17Cl2IN2O2 and its molar mass is 431.10 g/mol.

Is Iodomelphalan hazardous?

No GHS hazard classification for Iodomelphalan 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 Iodomelphalan?

Iodomelphalan is usually classified under HS code 292249 (Amino-acids, other than those containing more than one kind of oxygen function, and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Iodomelphalan?

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

What is the price of Iodomelphalan?

Suppliers quote Iodomelphalan 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 Iodomelphalan

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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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