4-chloro-N-[4-(3-methyl-1,3-benzothiazol-2-ylidene)cyclohexa
TL;DR: 4-chloro-N-[4-(3-methyl-1,3-benzothiazol-2-ylidene)cyclohexa (CAS 17173-05-6) is a chemical compound with molecular formula C20H15ClN2O2S2 and molecular weight 414.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[4-(3-methyl-1,3-benzothiazol-2-ylidene)cyclohexa-2,5-dien-1-ylidene]benzenesulfonamide
Also Known As: 4-chloro-N-[4-(3-methyl-1,3-benzothiazol-2-ylidene)cyclohexa, 4-chloro-N-[4-(3-methyl-1,3-benzothiazol-2-ylidene)cyclohexa-2,5-dien-1-ylidene]benzenesulfonamide, 4-Chloro-N-[(1Z,4Z)-4-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)cyclohexa-2,5-dien-1-ylidene]benzene-1-sulfonamide
| Molecular Formula | C20H15ClN2O2S2 |
|---|---|
| Molecular Weight | 414.03 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 83.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 414.02634 |
| Heavy Atoms | 27 |
| Complexity | 784.0 |
Chemical Identifiers
| CAS Number | 17173-05-6 |
|---|---|
| SMILES | CN1C2=CC=CC=C2SC1=C3C=CC(=NS(=O)(=O)C4=CC=C(C=C4)Cl)C=C3 |
| InChIKey | XSOKNUICJBGSKV-UHFFFAOYSA-N |
Product Overview
4-chloro-N-[4-(3-methyl-1,3-benzothiazol-2-ylidene)cyclohexa (CAS 17173-05-6), with molecular formula C20H15ClN2O2S2 and molecular weight 414.03 g/mol. IUPAC: 4-chloro-N-[4-(3-methyl-1,3-benzothiazol-2-ylidene)cyclohexa-2,5-dien-1-ylidene]benzenesulfonamide.
Chemical Property Profile of 4-chloro-N-[4-(3-methyl-1,3-benzothiazol-2-ylidene)cyclohexa
Property Insights of 4-chloro-N-[4-(3-methyl-1,3-benzothiazol-2-ylidene)cyclohexa
The XLogP value of 4.9 indicates that 4-chloro-N-[4-(3-methyl-1,3-benzothiazol-2-ylidene)cyclohexa is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-N-[4-(3-methyl-1,3-benzothiazol-2-ylidene)cyclohexa. Following Lipinski's Rule of Five, 4-chloro-N-[4-(3-methyl-1,3-benzothiazol-2-ylidene)cyclohexa has 0 hydrogen bond donor(s) and 5 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 4-chloro-N-[4-(3-methyl-1,3-benzothiazol-2-ylidene)cyclohexa?
The CAS number of 4-chloro-N-[4-(3-methyl-1,3-benzothiazol-2-ylidene)cyclohexa is 17173-05-6.
What is the molecular formula of 4-chloro-N-[4-(3-methyl-1,3-benzothiazol-2-ylidene)cyclohexa?
The molecular formula of 4-chloro-N-[4-(3-methyl-1,3-benzothiazol-2-ylidene)cyclohexa is C20H15ClN2O2S2.
What is the molecular weight of 4-chloro-N-[4-(3-methyl-1,3-benzothiazol-2-ylidene)cyclohexa?
The molecular weight of 4-chloro-N-[4-(3-methyl-1,3-benzothiazol-2-ylidene)cyclohexa is 414.03 g/mol.
Where can I buy 4-chloro-N-[4-(3-methyl-1,3-benzothiazol-2-ylidene)cyclohexa?
You can request a quote for 4-chloro-N-[4-(3-methyl-1,3-benzothiazol-2-ylidene)cyclohexa directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-[4-(3-methyl-1,3-benzothiazol-2-ylidene)cyclohexa?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-[4-(3-methyl-1,3-benzothiazol-2-ylidene)cyclohexa and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.