N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
TL;DR: N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide (CAS 600147-22-6) is a chemical compound with molecular formula C15H17N3O3S and molecular weight 319.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
Also Known As: BAS 06980521, N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide, 2H-benzo[3,4-d]1,3-dioxolen-5-yl-N-[5-(ethylpropyl)(1,3,4-thiadiazol-2-yl)]car boxamide, Benzo[1,3]dioxole-5-carboxylic acid [5-(1-ethyl-propyl)-[1,3,4]thiadiazol-2-yl]-amide, N-[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
| Molecular Formula | C15H17N3O3S |
|---|---|
| Molecular Weight | 319.10 g/mol |
| LogP | 3.4227 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.09906 |
| Heavy Atoms | 22 |
| Complexity | 682.42224 |
Chemical Identifiers
| CAS Number | 600147-22-6 |
|---|---|
| SMILES | CCC(CC)C1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3 |
Product Overview
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide (CAS 600147-22-6), with molecular formula C15H17N3O3S and molecular weight 319.10 g/mol. IUPAC: N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
Property Insights of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
The XLogP value of 3.4227 indicates that N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide. Following Lipinski's Rule of Five, N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide 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 N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide?
The CAS number of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide is 600147-22-6.
What is the molecular formula of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide?
The molecular formula of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide is C15H17N3O3S.
What is the molecular weight of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide?
The molecular weight of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide is 319.10 g/mol.
Where can I buy N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide?
You can request a quote for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.