KST-1A9013
TL;DR: KST-1A9013 (CAS 92588-72-2) is a chemical compound with molecular formula C29H49NO2 and molecular weight 443.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-methylcarbamate
Also Known As: KST-1A9013, Cholest-5-en-3beta-yl methylcarbamate, (3, A)-cholest-5-en-3-yl methylcarbamate, [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-methylcarbamate
| Molecular Formula | C29H49NO2 |
|---|---|
| Molecular Weight | 443.38 g/mol |
| LogP | 8.9 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.37634 |
| Heavy Atoms | 32 |
| Complexity | 714.0 |
Chemical Identifiers
| CAS Number | 92588-72-2 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)NC)C)C |
| InChIKey | RNMRMPBAIMIQFN-OHPSOFBHSA-N |
Product Overview
KST-1A9013 (CAS 92588-72-2), with molecular formula C29H49NO2 and molecular weight 443.38 g/mol. IUPAC: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-methylcarbamate.
Chemical Property Profile of KST-1A9013
Property Insights of KST-1A9013
The XLogP value of 8.9 indicates that KST-1A9013 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, KST-1A9013 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KST-1A9013 has 1 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-1A9013?
The CAS number of KST-1A9013 is 92588-72-2.
What is the molecular formula of KST-1A9013?
The molecular formula of KST-1A9013 is C29H49NO2.
What is the molecular weight of KST-1A9013?
The molecular weight of KST-1A9013 is 443.38 g/mol.
Where can I buy KST-1A9013?
You can request a quote for KST-1A9013 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A9013?
Yes, KEHONG BIO provides custom synthesis services for KST-1A9013 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.