ChemDiv1_016529
TL;DR: ChemDiv1_016529 (CAS 459418-34-9) is a chemical compound with molecular formula C18H18N4O3S and molecular weight 370.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-thiophen-2-yl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
Also Known As: ChemDiv1_016529, 5-(THIOPHEN-2-YL)-7-(3,4,5-TRIMETHOXYPHENYL)-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE, 5-thiophen-2-yl-7-(3,4,5-trimethoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine, 1,2,3-trimethoxy-5-(5-(2-thienyl)(4,7,8-trihydro-1,2,4-triazolo[1,5-a]pyrimidi n-7-yl))benzene
| Molecular Formula | C18H18N4O3S |
|---|---|
| Molecular Weight | 370.11 g/mol |
| LogP | 3.4214 |
| Topological Polar Surface Area | 70.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.10995 |
| Heavy Atoms | 26 |
| Complexity | 924.25934 |
Chemical Identifiers
| CAS Number | 459418-34-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2C=C(NC3=NC=NN23)C4=CC=CS4 |
Product Overview
ChemDiv1_016529 (CAS 459418-34-9), with molecular formula C18H18N4O3S and molecular weight 370.11 g/mol. IUPAC: 5-thiophen-2-yl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.
Chemical Property Profile of ChemDiv1_016529
Property Insights of ChemDiv1_016529
The XLogP value of 3.4214 indicates that ChemDiv1_016529 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_016529. Following Lipinski's Rule of Five, ChemDiv1_016529 has 1 hydrogen bond donor(s) and 7 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 ChemDiv1_016529?
The CAS number of ChemDiv1_016529 is 459418-34-9.
What is the molecular formula of ChemDiv1_016529?
The molecular formula of ChemDiv1_016529 is C18H18N4O3S.
What is the molecular weight of ChemDiv1_016529?
The molecular weight of ChemDiv1_016529 is 370.11 g/mol.
Where can I buy ChemDiv1_016529?
You can request a quote for ChemDiv1_016529 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_016529?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_016529 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.