ChemDiv3_004351
TL;DR: ChemDiv3_004351 (CAS 385787-33-7) is a chemical compound with molecular formula C18H16N6O and molecular weight 332.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-N-phenyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Also Known As: ChemDiv3_004351, IDI1_022261, BAS 09515713, 5-methyl-N-phenyl-7-(4-pyridinyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide, AF-399/40887954
| Molecular Formula | C18H16N6O |
|---|---|
| Molecular Weight | 332.14 g/mol |
| LogP | 2.6007 |
| Topological Polar Surface Area | 84.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.13855 |
| Heavy Atoms | 25 |
| Complexity | 932.4697 |
Chemical Identifiers
| CAS Number | 385787-33-7 |
|---|---|
| SMILES | CC1=C(C(N2C(=NC=N2)N1)C3=CC=NC=C3)C(=O)NC4=CC=CC=C4 |
Product Overview
ChemDiv3_004351 (CAS 385787-33-7), with molecular formula C18H16N6O and molecular weight 332.14 g/mol. IUPAC: 5-methyl-N-phenyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
Chemical Property Profile of ChemDiv3_004351
Property Insights of ChemDiv3_004351
The XLogP value of 2.6007 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_004351. The TPSA of 84.73 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004351. Following Lipinski's Rule of Five, ChemDiv3_004351 has 2 hydrogen bond donor(s) and 5 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_004351?
The CAS number of ChemDiv3_004351 is 385787-33-7.
What is the molecular formula of ChemDiv3_004351?
The molecular formula of ChemDiv3_004351 is C18H16N6O.
What is the molecular weight of ChemDiv3_004351?
The molecular weight of ChemDiv3_004351 is 332.14 g/mol.
Where can I buy ChemDiv3_004351?
You can request a quote for ChemDiv3_004351 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004351?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004351 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.