ChemDiv1_000241
TL;DR: ChemDiv1_000241 (CAS 313496-38-7) is a chemical compound with molecular formula C16H23N5O2S2 and molecular weight 381.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-cyanoethyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,1,3-benzothiadiazole-4-sulfonamide
Also Known As: ChemDiv1_000241, BAS 00318965, N-(2-cyanoethyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,1,3-benzothiadiazole-4-sulfonamide, 3-{(benzo[2,3-c]1,2,5-thiadiazol-4-ylsulfonyl)[3-(dimethylamino)-2,2-dimethylp ropyl]amino}propanenitrile, N-(2-cyanoethyl)-N-(3-(dimethylamino)-2,2-dimethylpropyl)benzo[c][1,2,5]thiadiazole-4-sulfonamide
| Molecular Formula | C16H23N5O2S2 |
|---|---|
| Molecular Weight | 381.13 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 381.1293 |
| Heavy Atoms | 25 |
| Complexity | 593.0 |
Chemical Identifiers
| CAS Number | 313496-38-7 |
|---|---|
| SMILES | CC(C)(CN(C)C)CN(CCC#N)S(=O)(=O)C1=CC=CC2=NSN=C21 |
| InChIKey | NFJQBUZOCYLHDJ-UHFFFAOYSA-N |
Product Overview
ChemDiv1_000241 (CAS 313496-38-7), with molecular formula C16H23N5O2S2 and molecular weight 381.13 g/mol. IUPAC: N-(2-cyanoethyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,1,3-benzothiadiazole-4-sulfonamide.
Chemical Property Profile of ChemDiv1_000241
Property Insights of ChemDiv1_000241
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_000241. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000241. Following Lipinski's Rule of Five, ChemDiv1_000241 has 0 hydrogen bond donor(s) and 8 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_000241?
The CAS number of ChemDiv1_000241 is 313496-38-7.
What is the molecular formula of ChemDiv1_000241?
The molecular formula of ChemDiv1_000241 is C16H23N5O2S2.
What is the molecular weight of ChemDiv1_000241?
The molecular weight of ChemDiv1_000241 is 381.13 g/mol.
Where can I buy ChemDiv1_000241?
You can request a quote for ChemDiv1_000241 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000241?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000241 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.