AP-970/42167623
TL;DR: AP-970/42167623 (CAS 708999-18-2) is a chemical compound with molecular formula C13H15ClN4O2S and molecular weight 326.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methylamino]-1H-1,2,4-triazole-5-thione
Also Known As: AP-970/42167623, 4-[(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methylamino]-1H-1,2,4-triazole-5-thione, 4-{[4-(allyloxy)-3-chloro-5-methoxybenzyl]amino}-4H-1,2,4-triazol-3-ylhydrosulfide, 4-(4-Allyloxy-3-chloro-5-methoxy-benzylamino)-4H-[1,2,4]triazole-3-thiol, 4-{[3-chloro-5-methoxy-4-(prop-2-en-1-yloxy)benzyl]amino}-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C13H15ClN4O2S |
|---|---|
| Molecular Weight | 326.06 g/mol |
| LogP | 2.91119 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 326.06042 |
| Heavy Atoms | 21 |
| Complexity | 683.051 |
Chemical Identifiers
| CAS Number | 708999-18-2 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)CNN2C=NNC2=S)Cl)OCC=C |
Product Overview
AP-970/42167623 (CAS 708999-18-2), with molecular formula C13H15ClN4O2S and molecular weight 326.06 g/mol. IUPAC: 4-[(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methylamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of AP-970/42167623
Property Insights of AP-970/42167623
The XLogP value of 2.91119 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AP-970/42167623. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-970/42167623. Following Lipinski's Rule of Five, AP-970/42167623 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 AP-970/42167623?
The CAS number of AP-970/42167623 is 708999-18-2.
What is the molecular formula of AP-970/42167623?
The molecular formula of AP-970/42167623 is C13H15ClN4O2S.
What is the molecular weight of AP-970/42167623?
The molecular weight of AP-970/42167623 is 326.06 g/mol.
Where can I buy AP-970/42167623?
You can request a quote for AP-970/42167623 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-970/42167623?
Yes, KEHONG BIO provides custom synthesis services for AP-970/42167623 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.