A4049/0172701
TL;DR: A4049/0172701 (CAS 853891-67-5) is a chemical compound with molecular formula C17H13N5S and molecular weight 319.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(E)-2-(4-methylphenyl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: A4049/0172701, 6-[(E)-2-(4-methylphenyl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-{6-[(1E)-2-(4-METHYLPHENYL)ETHENYL]-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOL-3-YL}PYRIDINE, 6-[(E)-2-(4-methylphenyl)ethenyl]-3-(pyridin-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C17H13N5S |
|---|---|
| Molecular Weight | 319.09 g/mol |
| LogP | 3.72662 |
| Topological Polar Surface Area | 55.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.08917 |
| Heavy Atoms | 23 |
| Complexity | 967.3272 |
Chemical Identifiers
| CAS Number | 853891-67-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=C/C2=NN3C(=NN=C3S2)C4=CN=CC=C4 |
Product Overview
A4049/0172701 (CAS 853891-67-5), with molecular formula C17H13N5S and molecular weight 319.09 g/mol. IUPAC: 6-[(E)-2-(4-methylphenyl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of A4049/0172701
Property Insights of A4049/0172701
The XLogP value of 3.72662 indicates that A4049/0172701 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.97 Ų, A4049/0172701 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A4049/0172701 has 0 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 A4049/0172701?
The CAS number of A4049/0172701 is 853891-67-5.
What is the molecular formula of A4049/0172701?
The molecular formula of A4049/0172701 is C17H13N5S.
What is the molecular weight of A4049/0172701?
The molecular weight of A4049/0172701 is 319.09 g/mol.
Where can I buy A4049/0172701?
You can request a quote for A4049/0172701 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4049/0172701?
Yes, KEHONG BIO provides custom synthesis services for A4049/0172701 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.