A3642/0154601
TL;DR: A3642/0154601 (CAS 697242-75-4) is a chemical compound with molecular formula C18H18ClN3O2 and molecular weight 343.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chlorophenyl)-1-(3-methoxyphenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
Also Known As: A3642/0154601, 2-(3-chlorophenyl)-3-(3-methoxyphenyl)tetrahydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazol-1-one, 2-(3-chlorophenyl)-3-(3-methoxyphenyl)tetrahydropyrazolo[1,2-a][1,2,4]triazol-1(5H)-one, 2-(3-chlorophenyl)-1-(3-methoxyphenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
| Molecular Formula | C18H18ClN3O2 |
|---|---|
| Molecular Weight | 343.11 g/mol |
| LogP | 3.9101 |
| Topological Polar Surface Area | 36.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.10876 |
| Heavy Atoms | 24 |
| Complexity | 782.36414 |
Chemical Identifiers
| CAS Number | 697242-75-4 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2N3CCCN3C(=O)N2C4=CC(=CC=C4)Cl |
Product Overview
A3642/0154601 (CAS 697242-75-4), with molecular formula C18H18ClN3O2 and molecular weight 343.11 g/mol. IUPAC: 2-(3-chlorophenyl)-1-(3-methoxyphenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one.
Chemical Property Profile of A3642/0154601
Property Insights of A3642/0154601
The XLogP value of 3.9101 indicates that A3642/0154601 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.02 Ų, A3642/0154601 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3642/0154601 has 0 hydrogen bond donor(s) and 3 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 A3642/0154601?
The CAS number of A3642/0154601 is 697242-75-4.
What is the molecular formula of A3642/0154601?
The molecular formula of A3642/0154601 is C18H18ClN3O2.
What is the molecular weight of A3642/0154601?
The molecular weight of A3642/0154601 is 343.11 g/mol.
Where can I buy A3642/0154601?
You can request a quote for A3642/0154601 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3642/0154601?
Yes, KEHONG BIO provides custom synthesis services for A3642/0154601 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.