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Steroids and sterols

Chenodeoxycholate sulfate conjugate

Also known as Chenodeoxycholate 3-sulphate, CDCS, Chenodeoxycholic acid sulfate conjugate

CAS 39280-88-1Formula C24H42O8SMolar mass 490.66 g/mol
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Chenodeoxycholate sulfate conjugate chemical structure, C24H42O8S, CAS 39280-88-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
39280-88-1
Formula
C24H42O8S
Molar mass
490.66 g/mol
HS code
291819
Category
Steroids and sterols

What is Chenodeoxycholate sulfate conjugate?

Plain description, key identifiers and synonyms

Chenodeoxycholate sulfate conjugate is a chemical substance with the molecular formula C24H42O8S and a molar mass of 490.66 g/mol. Its CAS registry number is 39280-88-1. The IUPAC name is (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid, sulfuric acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid, sulfuric acid
CAS number
39280-88-1 CAS number cross-checked
Molecular formula
C24H42O8S
InChIKey
NTHFOQKLSZUQTR-OICFXQLMSA-N
InChI
InChI=1S/C24H40O4.H2O4S/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26;1-5(2,3)4/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28);(H2,1,2,3,4)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-;/m1./s1
Canonical SMILES
CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C.O=S(=O)(O)O
Isomeric SMILES
C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.OS(=O)(=O)O

Synonyms

  • Chenodeoxycholate 3-sulphate
  • CDCS
  • Chenodeoxycholic acid sulfate conjugate
  • Cholan-24-oic acid, 3,7-dihydroxy-, hydrogen sulfate, (3alpha,5beta,7alpha)-
  • 3,7-Dihydroxycholan-24-oic acid--sulfuric acid (1/1)
  • 3alpha,7alpha-Dihydroxy-5beta-cholan-24-oic acid--sulfuric acid (1/1)

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
490.66 g/molcalc.
Exact mass
490.26 Dacalc.
LogP (octanol/water)
3.83calc.
Topological polar surface area
152.4 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
4calc.
Heavy atoms
33calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.96calc.
Formal charge
0calc.
Stereocentres
10calc.
Components
2calc.
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, C1CCC2C(C1)CCC1C3CCCC3CCC21

C1CCC2C(C1)CCC1C3CCCC3CCC21

4 rings, 17 atoms.

1,694 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.

Chenodeoxycholate sulfate conjugate suppliers

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Chenodeoxycholate sulfate conjugate price

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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 Chenodeoxycholate sulfate conjugate is traded under.

HS 2918.19Indicative HS code

Carboxylic acids with alcohol function but without other oxygen function, their…

World exports in 2024
$1.37B
+0.5% vs 2023, imports $1.18B
2019 to 2024
Top exporters
  1. China23.7%
  2. Italy14.7%
  3. India * partner reported12.0%
Top importers
  1. Germany11.7%
  2. South Korea9.8%
  3. Italy9.6%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Chenodeoxycholate sulfate conjugate, based on the data on this page

What is Chenodeoxycholate sulfate conjugate?

Chenodeoxycholate sulfate conjugate is a chemical substance with the molecular formula C24H42O8S and a molar mass of 490.66 g/mol. Its CAS registry number is 39280-88-1.

What is the CAS number of Chenodeoxycholate sulfate conjugate?

The CAS registry number of Chenodeoxycholate sulfate conjugate is 39280-88-1.

What is the molecular formula and weight of Chenodeoxycholate sulfate conjugate?

The molecular formula of Chenodeoxycholate sulfate conjugate is C24H42O8S and its molar mass is 490.66 g/mol.

Is Chenodeoxycholate sulfate conjugate hazardous?

No GHS hazard classification for Chenodeoxycholate sulfate conjugate 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 Chenodeoxycholate sulfate conjugate?

Chenodeoxycholate sulfate conjugate is usually classified under HS code 291819 (Carboxylic acids with alcohol function but without other oxygen function, their…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Chenodeoxycholate sulfate conjugate?

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What is the price of Chenodeoxycholate sulfate conjugate?

Suppliers quote Chenodeoxycholate sulfate conjugate 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 Chenodeoxycholate sulfate conjugate

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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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