BAS 00321598
TL;DR: BAS 00321598 (CAS 313239-73-5) is a chemical compound with molecular formula C12H11ClN4O3S and molecular weight 326.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-nitro-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
Also Known As: BAS 00321598, 3-chloro-4-nitro-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide, 3-Chloro-N-(5-isopropyl-[1,3,4]thiadiazol-2-yl)-4-nitro-benzamide, 3-CHLORO-N-(5-ISOPROPYL-1,3,4-THIADIAZOL-2-YL)-4-NITROBENZAMIDE, (3-chloro-4-nitrophenyl)-N-[5-(methylethyl)(1,3,4-thiadiazol-2-yl)]carboxamide
| Molecular Formula | C12H11ClN4O3S |
|---|---|
| Molecular Weight | 326.02 g/mol |
| LogP | 3.4754 |
| Topological Polar Surface Area | 98.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.02405 |
| Heavy Atoms | 21 |
| Complexity | 701.56104 |
Chemical Identifiers
| CAS Number | 313239-73-5 |
|---|---|
| SMILES | CC(C)C1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])Cl |
Product Overview
BAS 00321598 (CAS 313239-73-5), with molecular formula C12H11ClN4O3S and molecular weight 326.02 g/mol. IUPAC: 3-chloro-4-nitro-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide.
Chemical Property Profile of BAS 00321598
Property Insights of BAS 00321598
The XLogP value of 3.4754 indicates that BAS 00321598 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.02 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00321598. Following Lipinski's Rule of Five, BAS 00321598 has 1 hydrogen bond donor(s) and 6 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 BAS 00321598?
The CAS number of BAS 00321598 is 313239-73-5.
What is the molecular formula of BAS 00321598?
The molecular formula of BAS 00321598 is C12H11ClN4O3S.
What is the molecular weight of BAS 00321598?
The molecular weight of BAS 00321598 is 326.02 g/mol.
Where can I buy BAS 00321598?
You can request a quote for BAS 00321598 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00321598?
Yes, KEHONG BIO provides custom synthesis services for BAS 00321598 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.