KST-1B4041
TL;DR: KST-1B4041 (CAS 36019-23-5) is a chemical compound with molecular formula C14H4Cl12S and molecular weight 623.63 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,5,6,7,11,12,13,14,14,15,15-dodecachloro-9-thiapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene
Also Known As: KST-1B4041, 1,2,3,4,6,7,8,9,10,10,11,11-dodecachloro-1,4,4a,5a,6,9,9a,9b-octahydro-1,4:6,9-dimethanodibenzo[b,d]thiophene
| Molecular Formula | C14H4Cl12S |
|---|---|
| Molecular Weight | 623.63 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 623.6296 |
| Heavy Atoms | 27 |
| Complexity | 811.0 |
Chemical Identifiers
| CAS Number | 36019-23-5 |
|---|---|
| SMILES | C12C3C(C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl)SC1C5(C(=C(C2(C5(Cl)Cl)Cl)Cl)Cl)Cl |
| InChIKey | GGOLFYFFKLJLJD-UHFFFAOYSA-N |
Product Overview
KST-1B4041 (CAS 36019-23-5), with molecular formula C14H4Cl12S and molecular weight 623.63 g/mol. IUPAC: 1,4,5,6,7,11,12,13,14,14,15,15-dodecachloro-9-thiapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene.
Chemical Property Profile of KST-1B4041
Property Insights of KST-1B4041
The XLogP value of 6.8 indicates that KST-1B4041 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, KST-1B4041 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KST-1B4041 has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1B4041?
The CAS number of KST-1B4041 is 36019-23-5.
What is the molecular formula of KST-1B4041?
The molecular formula of KST-1B4041 is C14H4Cl12S.
What is the molecular weight of KST-1B4041?
The molecular weight of KST-1B4041 is 623.63 g/mol.
Where can I buy KST-1B4041?
You can request a quote for KST-1B4041 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B4041?
Yes, KEHONG BIO provides custom synthesis services for KST-1B4041 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.