BAS 07778938
TL;DR: BAS 07778938 (CAS 955899-95-3) is a chemical compound with molecular formula C17H13N5O2S and molecular weight 351.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[3-[5-(furan-2-yl)-1H-pyrazol-3-yl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone
Also Known As: BAS 07778938, 1-[4-[3-[5-(2-furanyl)-1H-pyrazol-3-yl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone, 1-[4-[3-[5-(furan-2-yl)-1H-pyrazol-3-yl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone, 1-(4-(3-(3-(furan-2-yl)-1H-pyrazol-5-yl)-5-mercapto-4H-1,2,4-triazol-4-yl)phenyl)ethanone, 1-(4-{3-[3-(furan-2-yl)-1H-pyrazol-5-yl]-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}phenyl)ethanone
| Molecular Formula | C17H13N5O2S |
|---|---|
| Molecular Weight | 351.08 g/mol |
| LogP | 3.78259 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.079 |
| Heavy Atoms | 25 |
| Complexity | 1086.9808 |
Chemical Identifiers
| CAS Number | 955899-95-3 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)N2C(=NNC2=S)C3=NNC(=C3)C4=CC=CO4 |
Product Overview
BAS 07778938 (CAS 955899-95-3), with molecular formula C17H13N5O2S and molecular weight 351.08 g/mol. IUPAC: 1-[4-[3-[5-(furan-2-yl)-1H-pyrazol-3-yl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone.
Chemical Property Profile of BAS 07778938
Property Insights of BAS 07778938
The XLogP value of 3.78259 indicates that BAS 07778938 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07778938. Following Lipinski's Rule of Five, BAS 07778938 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 BAS 07778938?
The CAS number of BAS 07778938 is 955899-95-3.
What is the molecular formula of BAS 07778938?
The molecular formula of BAS 07778938 is C17H13N5O2S.
What is the molecular weight of BAS 07778938?
The molecular weight of BAS 07778938 is 351.08 g/mol.
Where can I buy BAS 07778938?
You can request a quote for BAS 07778938 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07778938?
Yes, KEHONG BIO provides custom synthesis services for BAS 07778938 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.