KST-1A6345
TL;DR: KST-1A6345 (CAS 57808-78-3) is a chemical compound with molecular formula C25H28BrFO6 and molecular weight 522.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(6R,8S,10R,13S,14S)-17-acetyloxy-2-bromo-6-fluoro-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: KST-1A6345, (6, A,17xi)-2-bromo-6-fluoro-3,20-dioxopregna-1,4,9(11)-triene-17,21-diyl diacetate, (17xi)-2-Bromo-6-fluoro-3,20-dioxo-6beta-pregna-1,4,9(11)-triene-17,21-diyl diacetate, 2-Bromo-6-fluoro-3,20-dioxopregna-1,4,9(11)-triene-17,21-diyl diacetate
| Molecular Formula | C25H28BrFO6 |
|---|---|
| Molecular Weight | 522.11 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 522.10535 |
| Heavy Atoms | 33 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 57808-78-3 |
|---|---|
| SMILES | CC(=O)OCC(=O)C1(CC[C@@H]2[C@@]1(CC=C3[C@H]2C[C@H](C4=CC(=O)C(=C[C@]34C)Br)F)C)OC(=O)C |
| InChIKey | MCBUGZFLZRBBKP-KMWWQQNYSA-N |
Product Overview
KST-1A6345 (CAS 57808-78-3), with molecular formula C25H28BrFO6 and molecular weight 522.11 g/mol. IUPAC: [2-[(6R,8S,10R,13S,14S)-17-acetyloxy-2-bromo-6-fluoro-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.
Chemical Property Profile of KST-1A6345
Property Insights of KST-1A6345
The XLogP value of 3.5 indicates that KST-1A6345 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1A6345. Following Lipinski's Rule of Five, KST-1A6345 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1A6345?
The CAS number of KST-1A6345 is 57808-78-3.
What is the molecular formula of KST-1A6345?
The molecular formula of KST-1A6345 is C25H28BrFO6.
What is the molecular weight of KST-1A6345?
The molecular weight of KST-1A6345 is 522.11 g/mol.
Where can I buy KST-1A6345?
You can request a quote for KST-1A6345 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A6345?
Yes, KEHONG BIO provides custom synthesis services for KST-1A6345 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.