17-alpha-Estradiol-3-glucuronide
TL;DR: 17-alpha-Estradiol-3-glucuronide (CAS 1552-33-6) is a chemical compound with molecular formula C24H32O8 and molecular weight 448.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(13S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid
Also Known As: Estradiol-3-glucuronide, Estradiol 3-Glucuronide, 17-alpha-estradiol-3-glucuronide, 17alpha-Estradiol-3-glucuronide, 17beta-estradiol 3-glucosiduronic acid
| Molecular Formula | C24H32O8 |
|---|---|
| Molecular Weight | 448.21 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 448.20972 |
| Heavy Atoms | 32 |
| Complexity | 716.0 |
Chemical Identifiers
| CAS Number | 1552-33-6 |
|---|---|
| SMILES | C[C@]12CCC3C(C1CC[C@@H]2O)CCC4=C3C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O |
| InChIKey | MUOHJTRCBBDUOW-RNFKDHMMSA-N |
Product Overview
17-alpha-Estradiol-3-glucuronide (CAS 1552-33-6), with molecular formula C24H32O8 and molecular weight 448.21 g/mol. IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(13S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid.
Chemical Property Profile of 17-alpha-Estradiol-3-glucuronide
Property Insights of 17-alpha-Estradiol-3-glucuronide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17-alpha-Estradiol-3-glucuronide. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 17-alpha-Estradiol-3-glucuronide. Following Lipinski's Rule of Five, 17-alpha-Estradiol-3-glucuronide has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 17-alpha-Estradiol-3-glucuronide?
The CAS number of 17-alpha-Estradiol-3-glucuronide is 1552-33-6.
What is the molecular formula of 17-alpha-Estradiol-3-glucuronide?
The molecular formula of 17-alpha-Estradiol-3-glucuronide is C24H32O8.
What is the molecular weight of 17-alpha-Estradiol-3-glucuronide?
The molecular weight of 17-alpha-Estradiol-3-glucuronide is 448.21 g/mol.
Where can I buy 17-alpha-Estradiol-3-glucuronide?
You can request a quote for 17-alpha-Estradiol-3-glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-alpha-Estradiol-3-glucuronide?
Yes, KEHONG BIO provides custom synthesis services for 17-alpha-Estradiol-3-glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.