17alpha-Estradiol-3-galacturonide
TL;DR: 17alpha-Estradiol-3-galacturonide (CAS 63307-54-0) 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,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[[(13S,17R)-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: 17alpha-Estradiol-3-galacturonide, KST-1A7069, 17beta-estradiol 3-glucosiduronic acid, (8xi,9xi,14xi,17, A)-17-hydroxyestra-1,3,5(10)-trien-3-yl
| 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 | 63307-54-0 |
|---|---|
| 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-HZLZETAISA-N |
Product Overview
17alpha-Estradiol-3-galacturonide (CAS 63307-54-0), with molecular formula C24H32O8 and molecular weight 448.21 g/mol. IUPAC: (2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[[(13S,17R)-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 17alpha-Estradiol-3-galacturonide
Property Insights of 17alpha-Estradiol-3-galacturonide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17alpha-Estradiol-3-galacturonide. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 17alpha-Estradiol-3-galacturonide. Following Lipinski's Rule of Five, 17alpha-Estradiol-3-galacturonide 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 17alpha-Estradiol-3-galacturonide?
The CAS number of 17alpha-Estradiol-3-galacturonide is 63307-54-0.
What is the molecular formula of 17alpha-Estradiol-3-galacturonide?
The molecular formula of 17alpha-Estradiol-3-galacturonide is C24H32O8.
What is the molecular weight of 17alpha-Estradiol-3-galacturonide?
The molecular weight of 17alpha-Estradiol-3-galacturonide is 448.21 g/mol.
Where can I buy 17alpha-Estradiol-3-galacturonide?
You can request a quote for 17alpha-Estradiol-3-galacturonide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17alpha-Estradiol-3-galacturonide?
Yes, KEHONG BIO provides custom synthesis services for 17alpha-Estradiol-3-galacturonide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.