KST-1A6678
TL;DR: KST-1A6678 (CAS 6269-72-3) is a chemical compound with molecular formula C23H18Cl2OS2 and molecular weight 444.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-[(4-chlorophenoxy)methyl]-3-[(4-methylphenyl)sulfanylmethyl]-1-benzothiophene
Also Known As: KST-1A6678, (5-chloro-3-{[(4-methylphenyl)sulfanyl]methyl}-1-benzothiophen-2-yl)methyl 4-chlorophenyl ether, 5-chloro-2-[(4-chlorophenoxy)methyl]-3-[(4-methylphenyl)sulf, 5-chloro-2-[(4-chlorophenoxy)methyl]-3-[(4-methylphenyl)sulfanylmethyl]-1-benzothiophene, 5-Chloro-2-[(4-chlorophenoxy)methyl]-3-{[(4-methylphenyl)sulfanyl]methyl}-1-benzothiophene
| Molecular Formula | C23H18Cl2OS2 |
|---|---|
| Molecular Weight | 444.02 g/mol |
| LogP | 8.1 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.0176 |
| Heavy Atoms | 28 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 6269-72-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC2=C(SC3=C2C=C(C=C3)Cl)COC4=CC=C(C=C4)Cl |
| InChIKey | YSMLFPMIUJBZLO-UHFFFAOYSA-N |
Product Overview
KST-1A6678 (CAS 6269-72-3), with molecular formula C23H18Cl2OS2 and molecular weight 444.02 g/mol. IUPAC: 5-chloro-2-[(4-chlorophenoxy)methyl]-3-[(4-methylphenyl)sulfanylmethyl]-1-benzothiophene.
Chemical Property Profile of KST-1A6678
Property Insights of KST-1A6678
The XLogP value of 8.1 indicates that KST-1A6678 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1A6678. Following Lipinski's Rule of Five, KST-1A6678 has 0 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-1A6678?
The CAS number of KST-1A6678 is 6269-72-3.
What is the molecular formula of KST-1A6678?
The molecular formula of KST-1A6678 is C23H18Cl2OS2.
What is the molecular weight of KST-1A6678?
The molecular weight of KST-1A6678 is 444.02 g/mol.
Where can I buy KST-1A6678?
You can request a quote for KST-1A6678 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A6678?
Yes, KEHONG BIO provides custom synthesis services for KST-1A6678 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.