BB 0217542
TL;DR: BB 0217542 (CAS 792941-85-6) is a chemical compound with molecular formula C11H12N4O2S and molecular weight 264.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide
Also Known As: BB 0217542, Furan-2-carboxylic acid (4-allyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-amide, N-{[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide, Furan-2-carboxylic acid (4-allyl-5-mercapto-4H-[1,2,4]triazol-3-ylmeth yl)-amide, N-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide
| Molecular Formula | C11H12N4O2S |
|---|---|
| Molecular Weight | 264.07 g/mol |
| LogP | 1.64969 |
| Topological Polar Surface Area | 75.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 264.06808 |
| Heavy Atoms | 18 |
| Complexity | 596.84186 |
Chemical Identifiers
| CAS Number | 792941-85-6 |
|---|---|
| SMILES | C=CCN1C(=NNC1=S)CNC(=O)C2=CC=CO2 |
Product Overview
BB 0217542 (CAS 792941-85-6), with molecular formula C11H12N4O2S and molecular weight 264.07 g/mol. IUPAC: N-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide.
Chemical Property Profile of BB 0217542
Property Insights of BB 0217542
The XLogP value of 1.64969 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BB 0217542. The TPSA of 75.85 Ų falls within the moderate polarity range, balancing permeability and solubility for BB 0217542. Following Lipinski's Rule of Five, BB 0217542 has 2 hydrogen bond donor(s) and 4 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 0217542?
The CAS number of BB 0217542 is 792941-85-6.
What is the molecular formula of BB 0217542?
The molecular formula of BB 0217542 is C11H12N4O2S.
What is the molecular weight of BB 0217542?
The molecular weight of BB 0217542 is 264.07 g/mol.
Where can I buy BB 0217542?
You can request a quote for BB 0217542 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BB 0217542?
Yes, KEHONG BIO provides custom synthesis services for BB 0217542 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.