C16H15ClNOSSe.Cl
TL;DR: C16H15ClNOSSe.Cl (CAS 68413-87-6) is a chemical compound with molecular formula C16H15Cl2NOSSe and molecular weight 418.94 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)-3-ethyl-5-methoxy-1,3-benzoselenazol-3-ium chloride
Also Known As: Benzoselenazolium, 2-[2-chloro-2-(2-thienyl)ethenyl]-3-ethyl-5-methoxy-, chloride, 2-(beta-Chloro-beta-2'-thienylvinyl)-5-methoxy-3-ethylbenzoselenazolium chloride, 2-[2-CHLORO-2-(2-THIENYL)VINYL]-3-ETHYL-5-METHOXYBENZOSELENAZOLIUM CHLORIDE, Benzoselenazolium, 2-(2-chloro-2-(2-thienyl)ethenyl)-3-ethyl-5-methoxy-, chloride, Benzoselenazolium, 2-(2-chloro-2-(2-thienyl)ethenyl)-3-ethyl-5-methoxy-, chloride (1:1)
| Molecular Formula | C16H15Cl2NOSSe |
|---|---|
| Molecular Weight | 418.94 g/mol |
| LogP | 1.02 |
| Topological Polar Surface Area | 41.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.94165 |
| Heavy Atoms | 22 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 68413-87-6 |
|---|---|
| SMILES | CC[N+]1=C([Se]C2=C1C=C(C=C2)OC)C=C(C3=CC=CS3)Cl.[Cl-] |
| InChIKey | QKAIGMPYDMMLEB-UHFFFAOYSA-M |
Product Overview
C16H15ClNOSSe.Cl (CAS 68413-87-6), with molecular formula C16H15Cl2NOSSe and molecular weight 418.94 g/mol. IUPAC: 2-(2-chloro-2-thiophen-2-ylethenyl)-3-ethyl-5-methoxy-1,3-benzoselenazol-3-ium chloride.
Chemical Property Profile of C16H15ClNOSSe.Cl
Property Insights of C16H15ClNOSSe.Cl
The XLogP value of 1.02 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C16H15ClNOSSe.Cl. With a topological polar surface area (TPSA) of 41.4 Ų, C16H15ClNOSSe.Cl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C16H15ClNOSSe.Cl 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 C16H15ClNOSSe.Cl?
The CAS number of C16H15ClNOSSe.Cl is 68413-87-6.
What is the molecular formula of C16H15ClNOSSe.Cl?
The molecular formula of C16H15ClNOSSe.Cl is C16H15Cl2NOSSe.
What is the molecular weight of C16H15ClNOSSe.Cl?
The molecular weight of C16H15ClNOSSe.Cl is 418.94 g/mol.
Where can I buy C16H15ClNOSSe.Cl?
You can request a quote for C16H15ClNOSSe.Cl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H15ClNOSSe.Cl?
Yes, KEHONG BIO provides custom synthesis services for C16H15ClNOSSe.Cl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.