ChemDiv3_006717
TL;DR: ChemDiv3_006717 (CAS 697230-81-2) 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-(4-chlorophenyl)-1-(2-methoxyphenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
Also Known As: ChemDiv3_006717, IDI1_024627, BRD-A96197445-001-01-7, A3617/0153347, 2-(4-chlorophenyl)-3-(2-methoxyphenyl)tetrahydropyrazolo[1,2-a][1,2,4]triazol-1(5H)-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 | 765.11414 |
Chemical Identifiers
| CAS Number | 697230-81-2 |
|---|---|
| SMILES | COC1=CC=CC=C1C2N3CCCN3C(=O)N2C4=CC=C(C=C4)Cl |
Product Overview
ChemDiv3_006717 (CAS 697230-81-2), with molecular formula C18H18ClN3O2 and molecular weight 343.11 g/mol. IUPAC: 2-(4-chlorophenyl)-1-(2-methoxyphenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one.
Chemical Property Profile of ChemDiv3_006717
Property Insights of ChemDiv3_006717
The XLogP value of 3.9101 indicates that ChemDiv3_006717 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.02 Ų, ChemDiv3_006717 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_006717 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 ChemDiv3_006717?
The CAS number of ChemDiv3_006717 is 697230-81-2.
What is the molecular formula of ChemDiv3_006717?
The molecular formula of ChemDiv3_006717 is C18H18ClN3O2.
What is the molecular weight of ChemDiv3_006717?
The molecular weight of ChemDiv3_006717 is 343.11 g/mol.
Where can I buy ChemDiv3_006717?
You can request a quote for ChemDiv3_006717 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_006717?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_006717 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.