AB00676670-01
TL;DR: AB00676670-01 (CAS 888426-97-9) is a chemical compound with molecular formula C18H13Cl2N5O and molecular weight 385.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chloro-4-methylphenyl)-6-[(3-chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-one
Also Known As: AB00676670-01, F1876-1222, 3-(3-chloro-4-methylphenyl)-6-[(3-chlorophenyl)methyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one, 3-(3-chloro-4-methylphenyl)-6-[(3-chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-one, 3-(3-chloro-4-methylphenyl)-6-(3-chlorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one
| Molecular Formula | C18H13Cl2N5O |
|---|---|
| Molecular Weight | 385.05 g/mol |
| LogP | 3.64072 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.0497 |
| Heavy Atoms | 26 |
| Complexity | 1181.8842 |
Chemical Identifiers
| CAS Number | 888426-97-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C3=C(C(=O)N(C=N3)CC4=CC(=CC=C4)Cl)N=N2)Cl |
Product Overview
AB00676670-01 (CAS 888426-97-9), with molecular formula C18H13Cl2N5O and molecular weight 385.05 g/mol. IUPAC: 3-(3-chloro-4-methylphenyl)-6-[(3-chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-one.
Chemical Property Profile of AB00676670-01
Property Insights of AB00676670-01
The XLogP value of 3.64072 indicates that AB00676670-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00676670-01. Following Lipinski's Rule of Five, AB00676670-01 has 0 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 AB00676670-01?
The CAS number of AB00676670-01 is 888426-97-9.
What is the molecular formula of AB00676670-01?
The molecular formula of AB00676670-01 is C18H13Cl2N5O.
What is the molecular weight of AB00676670-01?
The molecular weight of AB00676670-01 is 385.05 g/mol.
Where can I buy AB00676670-01?
You can request a quote for AB00676670-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00676670-01?
Yes, KEHONG BIO provides custom synthesis services for AB00676670-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.