RefChem:164700
TL;DR: RefChem:164700 (CAS 63815-77-0) is a chemical compound with molecular formula C18H13Cl2NS2 and molecular weight 376.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloro-2-thiophen-2-ylethenyl)-1-methylbenzo[e][1,3]benzothiazol-1-ium chloride
Also Known As: Naphtho(1,2-d)thiazolium, 2-(2-chloro-2-(2-thienyl)ethenyl)-1-methyl-, chloride, Naphtho(1,2-d)thiazolium, 2-(2-chloro-2-(2-thienyl)ethenyl)-1-methyl-, chloride (1:1), Naphtho[1,2-d]thiazolium, 2-[2-chloro-2-(2-thienyl)ethenyl]-1-methyl-, chloride, Naphtho[1,2-d]thiazolium, 2-[2-chloro-2-(2-thienyl)ethenyl]-1-methyl-, chloride (1:1), 2-(2-chloro-2-thiophen-2-ylethenyl)-1-methylbenzo[e][1,3]benzothiazol-1-ium chloride
| Molecular Formula | C18H13Cl2NS2 |
|---|---|
| Molecular Weight | 376.99 g/mol |
| LogP | 2.68 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 376.98663 |
| Heavy Atoms | 23 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 63815-77-0 |
|---|---|
| SMILES | C[N+]1=C(SC2=C1C3=CC=CC=C3C=C2)C=C(C4=CC=CS4)Cl.[Cl-] |
| InChIKey | WIYVCYBFFWFZMS-UHFFFAOYSA-M |
Product Overview
RefChem:164700 (CAS 63815-77-0), with molecular formula C18H13Cl2NS2 and molecular weight 376.99 g/mol. IUPAC: 2-(2-chloro-2-thiophen-2-ylethenyl)-1-methylbenzo[e][1,3]benzothiazol-1-ium chloride.
Chemical Property Profile of RefChem:164700
Property Insights of RefChem:164700
The XLogP value of 2.68 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:164700. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:164700. Following Lipinski's Rule of Five, RefChem:164700 has 0 hydrogen bond donor(s) and 3 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 RefChem:164700?
The CAS number of RefChem:164700 is 63815-77-0.
What is the molecular formula of RefChem:164700?
The molecular formula of RefChem:164700 is C18H13Cl2NS2.
What is the molecular weight of RefChem:164700?
The molecular weight of RefChem:164700 is 376.99 g/mol.
Where can I buy RefChem:164700?
You can request a quote for RefChem:164700 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:164700?
Yes, KEHONG BIO provides custom synthesis services for RefChem:164700 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.