3-chloro-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)benzamide
TL;DR: 3-chloro-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)benzamide (CAS 310416-22-9) is a chemical compound with molecular formula C13H14ClN3OS and molecular weight 295.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: 3-chloro-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)benzamide, AN-758/13083002, 3-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide, (3-chlorophenyl)-N-[5-(2-methylpropyl)(1,3,4-thiadiazol-2-yl)]carboxamide
| Molecular Formula | C13H14ClN3OS |
|---|---|
| Molecular Weight | 295.05 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.0546 |
| Heavy Atoms | 19 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 310416-22-9 |
|---|---|
| SMILES | CC(C)CC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)Cl |
| InChIKey | ZFNQOSKSHOVPAT-UHFFFAOYSA-N |
Product Overview
3-chloro-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)benzamide (CAS 310416-22-9), with molecular formula C13H14ClN3OS and molecular weight 295.05 g/mol. IUPAC: 3-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide.
Chemical Property Profile of 3-chloro-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)benzamide
Property Insights of 3-chloro-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)benzamide
The XLogP value of 3.8 indicates that 3-chloro-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)benzamide. Following Lipinski's Rule of Five, 3-chloro-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)benzamide has 1 hydrogen bond donor(s) and 4 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 3-chloro-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)benzamide?
The CAS number of 3-chloro-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)benzamide is 310416-22-9.
What is the molecular formula of 3-chloro-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)benzamide?
The molecular formula of 3-chloro-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)benzamide is C13H14ClN3OS.
What is the molecular weight of 3-chloro-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)benzamide?
The molecular weight of 3-chloro-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)benzamide is 295.05 g/mol.
Where can I buy 3-chloro-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)benzamide?
You can request a quote for 3-chloro-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.