A4000/0170486
TL;DR: A4000/0170486 (CAS 879771-70-7) is a chemical compound with molecular formula C19H15N5OS and molecular weight 361.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[3-(3-phenyl-1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone
Also Known As: A4000/0170486, 1-(4-(3-mercapto-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)phenyl)ethanone, 1-{4-[3-(3-phenyl-1H-pyrazol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}ethanone, 1-[4-[3-(3-phenyl-1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone, 1-{4-[3-(3-PHENYL-1H-PYRAZOL-5-YL)-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL]PHENYL}-1-ETHANONE
| Molecular Formula | C19H15N5OS |
|---|---|
| Molecular Weight | 361.10 g/mol |
| LogP | 4.18959 |
| Topological Polar Surface Area | 79.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.09973 |
| Heavy Atoms | 26 |
| Complexity | 1122.7133 |
Chemical Identifiers
| CAS Number | 879771-70-7 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)N2C(=NNC2=S)C3=CC(=NN3)C4=CC=CC=C4 |
Product Overview
A4000/0170486 (CAS 879771-70-7), with molecular formula C19H15N5OS and molecular weight 361.10 g/mol. IUPAC: 1-[4-[3-(3-phenyl-1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone.
Chemical Property Profile of A4000/0170486
Property Insights of A4000/0170486
The XLogP value of 4.18959 indicates that A4000/0170486 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.36 Ų falls within the moderate polarity range, balancing permeability and solubility for A4000/0170486. Following Lipinski's Rule of Five, A4000/0170486 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 A4000/0170486?
The CAS number of A4000/0170486 is 879771-70-7.
What is the molecular formula of A4000/0170486?
The molecular formula of A4000/0170486 is C19H15N5OS.
What is the molecular weight of A4000/0170486?
The molecular weight of A4000/0170486 is 361.10 g/mol.
Where can I buy A4000/0170486?
You can request a quote for A4000/0170486 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4000/0170486?
Yes, KEHONG BIO provides custom synthesis services for A4000/0170486 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.