3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide
TL;DR: 3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide (CAS 827618-89-3) is a chemical compound with molecular formula C16H21N3O3S2 and molecular weight 367.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide
Also Known As: 3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide, 3-(benzylsulfonyl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide, N-(5-butyl(1,3,4-thiadiazol-2-yl))-3-[benzylsulfonyl]propanamide
| Molecular Formula | C16H21N3O3S2 |
|---|---|
| Molecular Weight | 367.10 g/mol |
| LogP | 2.8243 |
| Topological Polar Surface Area | 89.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 367.10245 |
| Heavy Atoms | 24 |
| Complexity | 757.88464 |
Chemical Identifiers
| CAS Number | 827618-89-3 |
|---|---|
| SMILES | CCCCC1=NN=C(S1)NC(=O)CCS(=O)(=O)CC2=CC=CC=C2 |
Product Overview
3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide (CAS 827618-89-3), with molecular formula C16H21N3O3S2 and molecular weight 367.10 g/mol. IUPAC: 3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide.
Chemical Property Profile of 3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide
Property Insights of 3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide
The XLogP value of 2.8243 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide. The TPSA of 89.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide. Following Lipinski's Rule of Five, 3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide 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 3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide?
The CAS number of 3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide is 827618-89-3.
What is the molecular formula of 3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide?
The molecular formula of 3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide is C16H21N3O3S2.
What is the molecular weight of 3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide?
The molecular weight of 3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide is 367.10 g/mol.
Where can I buy 3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide?
You can request a quote for 3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.