KST-1A6334
TL;DR: KST-1A6334 (CAS 57781-23-4) is a chemical compound with molecular formula C23H27BrF2O6 and molecular weight 516.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(6R,8S,10S,11S,13S,14S)-2-bromo-6,9-difluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: KST-1A6334, (6, A,9xi,11, A,17xi)-2-bromo-6,9-difluoro-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate, 2-Bromo-6,9-difluoro-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate
| Molecular Formula | C23H27BrF2O6 |
|---|---|
| Molecular Weight | 516.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 516.0959 |
| Heavy Atoms | 32 |
| Complexity | 964.0 |
Chemical Identifiers
| CAS Number | 57781-23-4 |
|---|---|
| SMILES | CC(=O)OCC(=O)C1(CC[C@@H]2[C@@]1(C[C@@H](C3([C@H]2C[C@H](C4=CC(=O)C(=C[C@@]43C)Br)F)F)O)C)O |
| InChIKey | IZAIDEPSSMAJPO-YPQPBNTISA-N |
Product Overview
KST-1A6334 (CAS 57781-23-4), with molecular formula C23H27BrF2O6 and molecular weight 516.10 g/mol. IUPAC: [2-[(6R,8S,10S,11S,13S,14S)-2-bromo-6,9-difluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.
Chemical Property Profile of KST-1A6334
Property Insights of KST-1A6334
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1A6334. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1A6334. Following Lipinski's Rule of Five, KST-1A6334 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1A6334?
The CAS number of KST-1A6334 is 57781-23-4.
What is the molecular formula of KST-1A6334?
The molecular formula of KST-1A6334 is C23H27BrF2O6.
What is the molecular weight of KST-1A6334?
The molecular weight of KST-1A6334 is 516.10 g/mol.
Where can I buy KST-1A6334?
You can request a quote for KST-1A6334 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A6334?
Yes, KEHONG BIO provides custom synthesis services for KST-1A6334 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.