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Steroids and sterols

Thymine-hydroxyprogesterone

Also known as 2,4(1H,3H)-Pyrimidinedione, 1-(17-hydroxy-3,20-dioxopregn-4-en-21-yl)-5-methyl-

CAS 87536-00-3Formula C26H34N2O5Molar mass 454.57 g/mol
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Thymine-hydroxyprogesterone chemical structure, C26H34N2O5, CAS 87536-00-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
87536-00-3
Formula
C26H34N2O5
Molar mass
454.57 g/mol
HS code
293359
Category
Steroids and sterols

What is Thymine-hydroxyprogesterone?

Plain description, key identifiers and synonyms

Thymine-hydroxyprogesterone is a chemical substance with the molecular formula C26H34N2O5 and a molar mass of 454.57 g/mol. Its CAS registry number is 87536-00-3. The IUPAC name is 1-[2-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-[2-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione
CAS number
87536-00-3
Molecular formula
C26H34N2O5
InChIKey
YDADFCILNDYADF-COJLFNMRSA-N
InChI
InChI=1S/C26H34N2O5/c1-15-13-28(23(32)27-22(15)31)14-21(30)26(33)11-8-20-18-5-4-16-12-17(29)6-9-24(16,2)19(18)7-10-25(20,26)3/h12-13,18-20,33H,4-11,14H2,1-3H3,(H,27,31,32)/t18-,19+,20+,24+,25+,26+/m1/s1
Canonical SMILES
Cc1cn(CC(=O)C2(O)CCC3C4CCC5=CC(=O)CCC5(C)C4CCC32C)c(=O)[nH]c1=O
Isomeric SMILES
CC1=CN(C(=O)NC1=O)CC(=O)[C@]2(CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5=CC(=O)CC[C@]45C)C)O

Synonyms

  • 2,4(1H,3H)-Pyrimidinedione, 1-(17-hydroxy-3,20-dioxopregn-4-en-21-yl)-5-methyl-

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
454.57 g/molcalc.
Exact mass
454.2468 Dacalc.
LogP (octanol/water)
2.68calc.
Topological polar surface area
109.2 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
3calc.
Heavy atoms
33calc.
Rings
5calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.69calc.
Formal charge
0calc.
Stereocentres
6calc.
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, O=C1C=C2CCC3C(CCC4C(C(=O)Cn5ccc(=O)[nH]c5=O)CCC43)C2CC1

O=C1C=C2CCC3C(CCC4C(C(=O)Cn5ccc(=O)[nH]c5=O)CCC43)C2CC1

5 rings, 29 atoms.

No other chemical in our database has 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.

Thymine-hydroxyprogesterone suppliers

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Thymine-hydroxyprogesterone 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 Thymine-hydroxyprogesterone 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 Thymine-hydroxyprogesterone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Thymine-hydroxyprogesterone, based on the data on this page

What is Thymine-hydroxyprogesterone?

Thymine-hydroxyprogesterone is a chemical substance with the molecular formula C26H34N2O5 and a molar mass of 454.57 g/mol. Its CAS registry number is 87536-00-3.

What is the CAS number of Thymine-hydroxyprogesterone?

The CAS registry number of Thymine-hydroxyprogesterone is 87536-00-3.

What is the molecular formula and weight of Thymine-hydroxyprogesterone?

The molecular formula of Thymine-hydroxyprogesterone is C26H34N2O5 and its molar mass is 454.57 g/mol.

Is Thymine-hydroxyprogesterone hazardous?

No GHS hazard classification for Thymine-hydroxyprogesterone 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 Thymine-hydroxyprogesterone?

Thymine-hydroxyprogesterone 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 Thymine-hydroxyprogesterone?

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

What is the price of Thymine-hydroxyprogesterone?

Suppliers quote Thymine-hydroxyprogesterone 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 Thymine-hydroxyprogesterone

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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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