ChemDiv1_000283
TL;DR: ChemDiv1_000283 (CAS 313495-75-9) is a chemical compound with molecular formula C21H14ClN5O3S2 and molecular weight 483.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-5-chloro-N-[4-(cyanomethyl)phenyl]benzamide
Also Known As: ChemDiv1_000283, 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-5-chloro-N-[4-(cyanomethyl)phenyl]benzamide, 2-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-5-chloro-N-[4-(cyanomethyl)phenyl]benzamide, {2-[(benzo[2,3-c]1,2,5-thiadiazol-4-ylsulfonyl)amino]-5-chlorophenyl}-N-[4-(cy anomethyl)phenyl]carboxamide, 2-(2,1,3-BENZOTHIADIAZOLE-4-SULFONAMIDO)-5-CHLORO-N-[4-(CYANOMETHYL)PHENYL]BENZAMIDE
| Molecular Formula | C21H14ClN5O3S2 |
|---|---|
| Molecular Weight | 483.02 g/mol |
| LogP | 4.46388 |
| Topological Polar Surface Area | 124.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 483.02267 |
| Heavy Atoms | 32 |
| Complexity | 1461.0742 |
Chemical Identifiers
| CAS Number | 313495-75-9 |
|---|---|
| SMILES | C1=CC2=NSN=C2C(=C1)S(=O)(=O)NC3=C(C=C(C=C3)Cl)C(=O)NC4=CC=C(C=C4)CC#N |
Product Overview
ChemDiv1_000283 (CAS 313495-75-9), with molecular formula C21H14ClN5O3S2 and molecular weight 483.02 g/mol. IUPAC: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-5-chloro-N-[4-(cyanomethyl)phenyl]benzamide.
Chemical Property Profile of ChemDiv1_000283
Property Insights of ChemDiv1_000283
The XLogP value of 4.46388 indicates that ChemDiv1_000283 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.84 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000283. Following Lipinski's Rule of Five, ChemDiv1_000283 has 2 hydrogen bond donor(s) and 7 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 ChemDiv1_000283?
The CAS number of ChemDiv1_000283 is 313495-75-9.
What is the molecular formula of ChemDiv1_000283?
The molecular formula of ChemDiv1_000283 is C21H14ClN5O3S2.
What is the molecular weight of ChemDiv1_000283?
The molecular weight of ChemDiv1_000283 is 483.02 g/mol.
Where can I buy ChemDiv1_000283?
You can request a quote for ChemDiv1_000283 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000283?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000283 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.