KST-1A8053
TL;DR: KST-1A8053 (CAS 7500-95-0) is a chemical compound with molecular formula C12H8Cl6O and molecular weight 377.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3S,6S,8S)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene
Also Known As: KST-1A8053, (1s,3s,6s,8s)-3,4,5,6,13,13-hexachlor-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-en
| Molecular Formula | C12H8Cl6O |
|---|---|
| Molecular Weight | 377.87 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 379.86768 |
| Heavy Atoms | 19 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 7500-95-0 |
|---|---|
| SMILES | C1[C@H]2C3C([C@H]1C4C2O4)[C@@]5(C(=C([C@@]3(C5(Cl)Cl)Cl)Cl)Cl)Cl |
| InChIKey | DFBKLUNHFCTMDC-BFLCFTQHSA-N |
Product Overview
KST-1A8053 (CAS 7500-95-0), with molecular formula C12H8Cl6O and molecular weight 377.87 g/mol. IUPAC: (1S,3S,6S,8S)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene.
Chemical Property Profile of KST-1A8053
Property Insights of KST-1A8053
The XLogP value of 3.7 indicates that KST-1A8053 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, KST-1A8053 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KST-1A8053 has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1A8053?
The CAS number of KST-1A8053 is 7500-95-0.
What is the molecular formula of KST-1A8053?
The molecular formula of KST-1A8053 is C12H8Cl6O.
What is the molecular weight of KST-1A8053?
The molecular weight of KST-1A8053 is 377.87 g/mol.
Where can I buy KST-1A8053?
You can request a quote for KST-1A8053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A8053?
Yes, KEHONG BIO provides custom synthesis services for KST-1A8053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.