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Steroids and sterols

TGR5 agonist 3

CAS 2148317-51-3Formula C28H48O5Molar mass 464.69 g/mol
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TGR5 agonist 3 chemical structure, C28H48O5, CAS 2148317-51-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2148317-51-3
Formula
C28H48O5
Molar mass
464.69 g/mol
HS code
291819
Category
Steroids and sterols

What is TGR5 agonist 3?

Plain description, key identifiers and synonyms

TGR5 agonist 3 is a chemical substance with the molecular formula C28H48O5 and a molar mass of 464.69 g/mol. Its CAS registry number is 2148317-51-3. The IUPAC name is (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7-butyl-3,7,12-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7-butyl-3,7,12-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
CAS number
2148317-51-3
Molecular formula
C28H48O5
InChIKey
WZSOJFRSTCSXOJ-WVAMBBLPSA-N
InChI
InChI=1S/C28H48O5/c1-5-6-12-28(33)16-18-14-19(29)11-13-26(18,3)22-15-23(30)27(4)20(8-9-21(27)25(22)28)17(2)7-10-24(31)32/h17-23,25,29-30,33H,5-16H2,1-4H3,(H,31,32)/t17-,18+,19-,20-,21+,22+,23+,25+,26+,27-,28-/m1/s1
Canonical SMILES
CCCCC1(O)CC2CC(O)CCC2(C)C2CC(O)C3(C)C(C(C)CCC(=O)O)CCC3C21
Isomeric SMILES
CCCC[C@]1(C[C@@H]2C[C@@H](CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@@H]([C@]4([C@H](C3)O)C)[C@H](C)CCC(=O)O)C)O)O

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
464.69 g/molcalc.
Exact mass
464.3502 Dacalc.
LogP (octanol/water)
5.01calc.
Topological polar surface area
97.99 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
7calc.
Heavy atoms
33calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.96calc.
Formal charge
0calc.
Stereocentres
11calc.
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, 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.

TGR5 agonist 3 suppliers

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TGR5 agonist 3 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 TGR5 agonist 3 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 TGR5 agonist 3 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about TGR5 agonist 3, based on the data on this page

What is TGR5 agonist 3?

TGR5 agonist 3 is a chemical substance with the molecular formula C28H48O5 and a molar mass of 464.69 g/mol. Its CAS registry number is 2148317-51-3.

What is the CAS number of TGR5 agonist 3?

The CAS registry number of TGR5 agonist 3 is 2148317-51-3.

What is the molecular formula and weight of TGR5 agonist 3?

The molecular formula of TGR5 agonist 3 is C28H48O5 and its molar mass is 464.69 g/mol.

Is TGR5 agonist 3 hazardous?

No GHS hazard classification for TGR5 agonist 3 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 TGR5 agonist 3?

TGR5 agonist 3 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 TGR5 agonist 3?

Post a free request on CompoundList and suppliers of TGR5 agonist 3 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of TGR5 agonist 3?

Suppliers quote TGR5 agonist 3 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 TGR5 agonist 3

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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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