KST-1A6104
TL;DR: KST-1A6104 (CAS 56376-32-0) is a chemical compound with molecular formula C29H49BrO3 and molecular weight 524.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-6-bromo-5-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
Also Known As: KST-1A6104, 3beta-Acetoxy-6beta-bromocholestane-5alpha-ol, J2.495.075A, (3, A,5
| Molecular Formula | C29H49BrO3 |
|---|---|
| Molecular Weight | 524.29 g/mol |
| LogP | 9.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 524.2865 |
| Heavy Atoms | 33 |
| Complexity | 724.0 |
Chemical Identifiers
| CAS Number | 56376-32-0 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)OC(=O)C)C)O)Br)C |
| InChIKey | VZKSCWUNOHGGFQ-BSMCXZHXSA-N |
Product Overview
KST-1A6104 (CAS 56376-32-0), with molecular formula C29H49BrO3 and molecular weight 524.29 g/mol. IUPAC: [(3S,5R,6R,8S,9S,10R,13R,14S,17R)-6-bromo-5-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of KST-1A6104
Property Insights of KST-1A6104
The XLogP value of 9.0 indicates that KST-1A6104 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, KST-1A6104 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KST-1A6104 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1A6104?
The CAS number of KST-1A6104 is 56376-32-0.
What is the molecular formula of KST-1A6104?
The molecular formula of KST-1A6104 is C29H49BrO3.
What is the molecular weight of KST-1A6104?
The molecular weight of KST-1A6104 is 524.29 g/mol.
Where can I buy KST-1A6104?
You can request a quote for KST-1A6104 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A6104?
Yes, KEHONG BIO provides custom synthesis services for KST-1A6104 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.