11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl lysinate
TL;DR: 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl lysinate (CAS 95924-98-4) is a chemical compound with molecular formula C27H42N2O6 and molecular weight 490.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(10R,11S,13S,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)-2,6-diaminohexanoate
Also Known As: 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl lysinate, (8xi,9xi,14xi)-11beta,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl L-lysinate
| Molecular Formula | C27H42N2O6 |
|---|---|
| Molecular Weight | 490.30 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 490.3043 |
| Heavy Atoms | 35 |
| Complexity | 904.0 |
Chemical Identifiers
| CAS Number | 95924-98-4 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CCC3C2[C@H](C[C@]4(C3CC[C@@]4(C(=O)COC(=O)[C@H](CCCCN)N)O)C)O |
| InChIKey | RUJMJVDZRXMDLY-XSGTYTMNSA-N |
Product Overview
11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl lysinate (CAS 95924-98-4), with molecular formula C27H42N2O6 and molecular weight 490.30 g/mol. IUPAC: [2-[(10R,11S,13S,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)-2,6-diaminohexanoate.
Chemical Property Profile of 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl lysinate
Property Insights of 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl lysinate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl lysinate. The TPSA of 153.0 Ų indicates high polarity, suggesting 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl lysinate 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 lysinate has 4 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 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl lysinate?
The CAS number of 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl lysinate is 95924-98-4.
What is the molecular formula of 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl lysinate?
The molecular formula of 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl lysinate is C27H42N2O6.
What is the molecular weight of 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl lysinate?
The molecular weight of 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl lysinate is 490.30 g/mol.
Where can I buy 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl lysinate?
You can request a quote for 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl lysinate 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 lysinate?
Yes, KEHONG BIO provides custom synthesis services for 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl lysinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.