KST-1A3685
TL;DR: KST-1A3685 (CAS 31147-33-8) is a chemical compound with molecular formula C29H47ClO2 and molecular weight 462.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5R,6R,8S,13R,14S,17R)-6-chloro-5,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,6,7,8,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: KST-1A3685, Urea,N'-(4-chlorophenyl)-N-methyl-N-(2-methyl-1-propenyl), (3, A,5, A,6
| Molecular Formula | C29H47ClO2 |
|---|---|
| Molecular Weight | 462.33 g/mol |
| LogP | 8.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 462.32645 |
| Heavy Atoms | 32 |
| Complexity | 741.0 |
Chemical Identifiers
| CAS Number | 31147-33-8 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3=C4CC[C@@H](C[C@]4([C@@H](C[C@@H]23)Cl)C)OC(=O)C)C |
| InChIKey | FLVVMORBHBBNJK-ZGOFRWHMSA-N |
Product Overview
KST-1A3685 (CAS 31147-33-8), with molecular formula C29H47ClO2 and molecular weight 462.33 g/mol. IUPAC: [(3S,5R,6R,8S,13R,14S,17R)-6-chloro-5,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,6,7,8,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of KST-1A3685
Property Insights of KST-1A3685
The XLogP value of 8.7 indicates that KST-1A3685 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, KST-1A3685 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KST-1A3685 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1A3685?
The CAS number of KST-1A3685 is 31147-33-8.
What is the molecular formula of KST-1A3685?
The molecular formula of KST-1A3685 is C29H47ClO2.
What is the molecular weight of KST-1A3685?
The molecular weight of KST-1A3685 is 462.33 g/mol.
Where can I buy KST-1A3685?
You can request a quote for KST-1A3685 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A3685?
Yes, KEHONG BIO provides custom synthesis services for KST-1A3685 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.