F1876-1176
TL;DR: F1876-1176 (CAS 893930-36-4) is a chemical compound with molecular formula C18H13ClFN5O and molecular weight 369.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chloro-4-methylphenyl)-6-[(4-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-one
Also Known As: F1876-1176, 3-(3-chloro-4-methylphenyl)-6-[(4-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-one, 3-(3-chloro-4-methylphenyl)-6-(4-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one, 3-(3-chloro-4-methylphenyl)-6-[(4-fluorophenyl)methyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
| Molecular Formula | C18H13ClFN5O |
|---|---|
| Molecular Weight | 369.08 g/mol |
| LogP | 3.12642 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 369.07925 |
| Heavy Atoms | 26 |
| Complexity | 1166.6342 |
Chemical Identifiers
| CAS Number | 893930-36-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C3=C(C(=O)N(C=N3)CC4=CC=C(C=C4)F)N=N2)Cl |
Product Overview
F1876-1176 (CAS 893930-36-4), with molecular formula C18H13ClFN5O and molecular weight 369.08 g/mol. IUPAC: 3-(3-chloro-4-methylphenyl)-6-[(4-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-one.
Chemical Property Profile of F1876-1176
Property Insights of F1876-1176
The XLogP value of 3.12642 indicates that F1876-1176 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 F1876-1176. Following Lipinski's Rule of Five, F1876-1176 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 F1876-1176?
The CAS number of F1876-1176 is 893930-36-4.
What is the molecular formula of F1876-1176?
The molecular formula of F1876-1176 is C18H13ClFN5O.
What is the molecular weight of F1876-1176?
The molecular weight of F1876-1176 is 369.08 g/mol.
Where can I buy F1876-1176?
You can request a quote for F1876-1176 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1876-1176?
Yes, KEHONG BIO provides custom synthesis services for F1876-1176 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.