11T-0888
TL;DR: 11T-0888 (CAS 860651-03-2) is a chemical compound with molecular formula C17H16ClN3O and molecular weight 313.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methyl]-5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-one
Also Known As: 11T-0888, 2-(4-chlorobenzyl)-5-methyl-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one, 2-[(4-chlorophenyl)methyl]-5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-one, 1-[(4-chlorophenyl)methyl]-3-methyl-4-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
| Molecular Formula | C17H16ClN3O |
|---|---|
| Molecular Weight | 313.10 g/mol |
| LogP | 3.35254 |
| Topological Polar Surface Area | 39.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.09818 |
| Heavy Atoms | 22 |
| Complexity | 845.1057 |
Chemical Identifiers
| CAS Number | 860651-03-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN(C2=O)CC3=CC=C(C=C3)Cl)C |
Product Overview
11T-0888 (CAS 860651-03-2), with molecular formula C17H16ClN3O and molecular weight 313.10 g/mol. IUPAC: 2-[(4-chlorophenyl)methyl]-5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-one.
Chemical Property Profile of 11T-0888
Property Insights of 11T-0888
The XLogP value of 3.35254 indicates that 11T-0888 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.82 Ų, 11T-0888 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11T-0888 has 0 hydrogen bond donor(s) and 2 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 11T-0888?
The CAS number of 11T-0888 is 860651-03-2.
What is the molecular formula of 11T-0888?
The molecular formula of 11T-0888 is C17H16ClN3O.
What is the molecular weight of 11T-0888?
The molecular weight of 11T-0888 is 313.10 g/mol.
Where can I buy 11T-0888?
You can request a quote for 11T-0888 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11T-0888?
Yes, KEHONG BIO provides custom synthesis services for 11T-0888 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.