BB 0217541
TL;DR: BB 0217541 (CAS 737779-74-7) is a chemical compound with molecular formula C12H12N4O3S and molecular weight 292.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
Also Known As: BB 0217541, Benzo[1,3]dioxole-5-carboxylic acid (5-mercapto-4-methyl-4H-[1,2,4]triazol-3-ylmethyl)-amide, N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide, N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide, Benzo[1,3]dioxole-5-carboxylic acid (5-mercapto-4-methyl-4H-[1,2,4]triazol-3-ylm ethyl)-amide
| Molecular Formula | C12H12N4O3S |
|---|---|
| Molecular Weight | 292.06 g/mol |
| LogP | 1.13639 |
| Topological Polar Surface Area | 81.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.06302 |
| Heavy Atoms | 20 |
| Complexity | 721.7328 |
Chemical Identifiers
| CAS Number | 737779-74-7 |
|---|---|
| SMILES | CN1C(=NNC1=S)CNC(=O)C2=CC3=C(C=C2)OCO3 |
Product Overview
BB 0217541 (CAS 737779-74-7), with molecular formula C12H12N4O3S and molecular weight 292.06 g/mol. IUPAC: N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of BB 0217541
Property Insights of BB 0217541
The XLogP value of 1.13639 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BB 0217541. The TPSA of 81.17 Ų falls within the moderate polarity range, balancing permeability and solubility for BB 0217541. Following Lipinski's Rule of Five, BB 0217541 has 2 hydrogen bond donor(s) and 5 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 BB 0217541?
The CAS number of BB 0217541 is 737779-74-7.
What is the molecular formula of BB 0217541?
The molecular formula of BB 0217541 is C12H12N4O3S.
What is the molecular weight of BB 0217541?
The molecular weight of BB 0217541 is 292.06 g/mol.
Where can I buy BB 0217541?
You can request a quote for BB 0217541 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BB 0217541?
Yes, KEHONG BIO provides custom synthesis services for BB 0217541 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.