11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl hexuronate
TL;DR: 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl hexuronate (CAS 7301-54-4) is a chemical compound with molecular formula C27H38O11 and molecular weight 538.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(8S,9S,10R,11R,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate
Also Known As: Cortisol-21-glucosiduronate, 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl hexuronate, 11alpha,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl D-glucuronate, [2-[(8S,9S,10R,11R,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate
| Molecular Formula | C27H38O11 |
|---|---|
| Molecular Weight | 538.24 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 199.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 538.2414 |
| Heavy Atoms | 38 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 7301-54-4 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@@H](C[C@]4([C@H]3CC[C@@]4(C(=O)COC(=O)[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O)C)O |
| InChIKey | SAWZKWFVRPPPKZ-XJCJREKBSA-N |
Product Overview
11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl hexuronate (CAS 7301-54-4), with molecular formula C27H38O11 and molecular weight 538.24 g/mol. IUPAC: [2-[(8S,9S,10R,11R,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate.
Chemical Property Profile of 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl hexuronate
Property Insights of 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl hexuronate
The XLogP value of -0.8 indicates that 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl hexuronate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 199.0 Ų indicates high polarity, suggesting 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl hexuronate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl hexuronate has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl hexuronate?
The CAS number of 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl hexuronate is 7301-54-4.
What is the molecular formula of 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl hexuronate?
The molecular formula of 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl hexuronate is C27H38O11.
What is the molecular weight of 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl hexuronate?
The molecular weight of 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl hexuronate is 538.24 g/mol.
Where can I buy 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl hexuronate?
You can request a quote for 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl hexuronate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl hexuronate?
Yes, KEHONG BIO provides custom synthesis services for 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl hexuronate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.