KST-1A3201
TL;DR: KST-1A3201 (CAS 25496-77-9) is a chemical compound with molecular formula C26H30Cl2O4 and molecular weight 476.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,10R,13S,14S,17S)-4-chloro-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] 2-(4-chlorophenoxy)acetate
Also Known As: KST-1A3201, (17, A)-4-chloro-3-oxoestr-4-en-17-yl(4-chlorophenoxy)acetate, 4-Chloro-3-oxoestr-4-en-17-yl (4-chlorophenoxy)acetate, 4-Chloro-3-oxoestr-4-en-17beta-yl (4-chlorophenoxy)acetate
| Molecular Formula | C26H30Cl2O4 |
|---|---|
| Molecular Weight | 476.15 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 476.1521 |
| Heavy Atoms | 32 |
| Complexity | 787.0 |
Chemical Identifiers
| CAS Number | 25496-77-9 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)COC4=CC=C(C=C4)Cl)CCC5=C(C(=O)CC[C@H]35)Cl |
| InChIKey | RIFKMUCBGBCCAA-KXLSUQFWSA-N |
Product Overview
KST-1A3201 (CAS 25496-77-9), with molecular formula C26H30Cl2O4 and molecular weight 476.15 g/mol. IUPAC: [(8R,9S,10R,13S,14S,17S)-4-chloro-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] 2-(4-chlorophenoxy)acetate.
Chemical Property Profile of KST-1A3201
Property Insights of KST-1A3201
The XLogP value of 6.5 indicates that KST-1A3201 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, KST-1A3201 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KST-1A3201 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1A3201?
The CAS number of KST-1A3201 is 25496-77-9.
What is the molecular formula of KST-1A3201?
The molecular formula of KST-1A3201 is C26H30Cl2O4.
What is the molecular weight of KST-1A3201?
The molecular weight of KST-1A3201 is 476.15 g/mol.
Where can I buy KST-1A3201?
You can request a quote for KST-1A3201 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A3201?
Yes, KEHONG BIO provides custom synthesis services for KST-1A3201 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.