(9xi,11
TL;DR: (9xi,11 (CAS 5951-73-5) is a chemical compound with molecular formula C22H29ClO4 and molecular weight 392.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,10S,11S,13S,14S,16S,17R)-17-acetyl-9-chloro-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Also Known As: (9xi,11, KST-1A6330, A,16, (9xi,11, A,16
| Molecular Formula | C22H29ClO4 |
|---|---|
| Molecular Weight | 392.18 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 392.17545 |
| Heavy Atoms | 27 |
| Complexity | 787.0 |
Chemical Identifiers
| CAS Number | 5951-73-5 |
|---|---|
| SMILES | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3([C@H](C[C@@]2([C@]1(C(=O)C)O)C)O)Cl)C |
| InChIKey | PPHLHSSXDSBOAQ-CDAMQKEZSA-N |
Product Overview
(9xi,11 (CAS 5951-73-5), with molecular formula C22H29ClO4 and molecular weight 392.18 g/mol. IUPAC: (8S,10S,11S,13S,14S,16S,17R)-17-acetyl-9-chloro-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of (9xi,11
Property Insights of (9xi,11
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (9xi,11. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (9xi,11. Following Lipinski's Rule of Five, (9xi,11 has 2 hydrogen bond donor(s) and 4 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 (9xi,11?
The CAS number of (9xi,11 is 5951-73-5.
What is the molecular formula of (9xi,11?
The molecular formula of (9xi,11 is C22H29ClO4.
What is the molecular weight of (9xi,11?
The molecular weight of (9xi,11 is 392.18 g/mol.
Where can I buy (9xi,11?
You can request a quote for (9xi,11 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (9xi,11?
Yes, KEHONG BIO provides custom synthesis services for (9xi,11 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.