N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide (CAS 69635-91-2) is a chemical compound with molecular formula C12H11N3O3S and molecular weight 277.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-4-methylthiadiazole-5-carboxamide
Also Known As: Maybridge1_004350, N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide, N-(1,3-benzodioxol-5-ylmethyl)-4-methylthiadiazole-5-carboxamide, N-(2H-1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide, N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide
| Molecular Formula | C12H11N3O3S |
|---|---|
| Molecular Weight | 277.05 g/mol |
| LogP | 1.50522 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.05212 |
| Heavy Atoms | 19 |
| Complexity | 626.4322 |
Chemical Identifiers
| CAS Number | 69635-91-2 |
|---|---|
| SMILES | CC1=C(SN=N1)C(=O)NCC2=CC3=C(C=C2)OCO3 |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide (CAS 69635-91-2), with molecular formula C12H11N3O3S and molecular weight 277.05 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-4-methylthiadiazole-5-carboxamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
The XLogP value of 1.50522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide. The TPSA of 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2,3-thiadiazole-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-benzodioxol-5-ylmethyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide is 69635-91-2.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide is C12H11N3O3S.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide is 277.05 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2,3-thiadiazole-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-benzodioxol-5-ylmethyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.