Estriol-17-glucuronide
TL;DR: Estriol-17-glucuronide (CAS 7219-89-8) is a chemical compound with molecular formula C24H32O9 and molecular weight 464.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R)-6-[[(8S,9R,13S,14R,16R,17R)-3,16-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Estriol-17-glucuronide, Estriol 17-glucuronide, (2S,3S,4S,5R)-6-[[(8S,9R,13S,14R,16R,17R)-3,16-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid, beta-D-Glucopyranosiduronic acid, (16alpha,17beta)-3,16-dihydroxyestra-1,3,5(10)-trien-17-yl, (2S,3S,4S,5R)-6-{[(1R,10S,11R,13R,14R,15S)-5,13-dihydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-14-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
| Molecular Formula | C24H32O9 |
|---|---|
| Molecular Weight | 464.20 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 464.20462 |
| Heavy Atoms | 33 |
| Complexity | 747.0 |
Chemical Identifiers
| CAS Number | 7219-89-8 |
|---|---|
| SMILES | C[C@]12CC[C@@H]3[C@@H]([C@H]1C[C@H]([C@@H]2OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)CCC5=C3C=CC(=C5)O |
| InChIKey | CZGFLAQOJPXVRV-GITAKMRZSA-N |
Product Overview
Estriol-17-glucuronide (CAS 7219-89-8), with molecular formula C24H32O9 and molecular weight 464.20 g/mol. IUPAC: (2S,3S,4S,5R)-6-[[(8S,9R,13S,14R,16R,17R)-3,16-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Estriol-17-glucuronide
Property Insights of Estriol-17-glucuronide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Estriol-17-glucuronide. The TPSA of 157.0 Ų indicates high polarity, suggesting Estriol-17-glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Estriol-17-glucuronide has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Estriol-17-glucuronide?
The CAS number of Estriol-17-glucuronide is 7219-89-8.
What is the molecular formula of Estriol-17-glucuronide?
The molecular formula of Estriol-17-glucuronide is C24H32O9.
What is the molecular weight of Estriol-17-glucuronide?
The molecular weight of Estriol-17-glucuronide is 464.20 g/mol.
Where can I buy Estriol-17-glucuronide?
You can request a quote for Estriol-17-glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estriol-17-glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Estriol-17-glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.