N-(1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
TL;DR: N-(1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide (CAS 313385-95-4) is a chemical compound with molecular formula C10H7N3O3S and molecular weight 249.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
Also Known As: DivK1c_005559, N-(1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide, CDS1_004519, BAS 03033698, BIM-0030237.P001
| Molecular Formula | C10H7N3O3S |
|---|---|
| Molecular Weight | 249.02 g/mol |
| LogP | 1.5191 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.02081 |
| Heavy Atoms | 17 |
| Complexity | 555.9287 |
Chemical Identifiers
| CAS Number | 313385-95-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NN=CS3 |
Product Overview
N-(1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide (CAS 313385-95-4), with molecular formula C10H7N3O3S and molecular weight 249.02 g/mol. IUPAC: N-(1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of N-(1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
Property Insights of N-(1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
The XLogP value of 1.5191 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide. The TPSA of 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide. Following Lipinski's Rule of Five, N-(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-(1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide?
The CAS number of N-(1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide is 313385-95-4.
What is the molecular formula of N-(1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide?
The molecular formula of N-(1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide is C10H7N3O3S.
What is the molecular weight of N-(1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide?
The molecular weight of N-(1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide is 249.02 g/mol.
Where can I buy N-(1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide?
You can request a quote for N-(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-(1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(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.