ChemDiv1_009446
TL;DR: ChemDiv1_009446 (CAS 373377-80-1) is a chemical compound with molecular formula C29H25N5O3 and molecular weight 491.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
Also Known As: ChemDiv1_009446, 2-[3-(1-benzotriazolylmethyl)-4-methoxyphenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one, 2-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one, 2-(3-((1H-benzo[d][1,2,3]triazol-1-yl)methyl)-4-methoxyphenyl)-3-(4-methoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one, 2-(3-Benzotriazol-1-ylmethyl-4-methoxy-phenyl)-3-(4-methoxy-phenyl)-2,3-dihydro-1H-quinazolin-4-one
| Molecular Formula | C29H25N5O3 |
|---|---|
| Molecular Weight | 491.20 g/mol |
| LogP | 5.2679 |
| Topological Polar Surface Area | 81.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 491.19574 |
| Heavy Atoms | 37 |
| Complexity | 1595.2996 |
Chemical Identifiers
| CAS Number | 373377-80-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(NC3=CC=CC=C3C2=O)C4=CC(=C(C=C4)OC)CN5C6=CC=CC=C6N=N5 |
Product Overview
ChemDiv1_009446 (CAS 373377-80-1), with molecular formula C29H25N5O3 and molecular weight 491.20 g/mol. IUPAC: 2-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one.
Chemical Property Profile of ChemDiv1_009446
Property Insights of ChemDiv1_009446
The XLogP value of 5.2679 indicates that ChemDiv1_009446 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.51 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009446. Following Lipinski's Rule of Five, ChemDiv1_009446 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_009446?
The CAS number of ChemDiv1_009446 is 373377-80-1.
What is the molecular formula of ChemDiv1_009446?
The molecular formula of ChemDiv1_009446 is C29H25N5O3.
What is the molecular weight of ChemDiv1_009446?
The molecular weight of ChemDiv1_009446 is 491.20 g/mol.
Where can I buy ChemDiv1_009446?
You can request a quote for ChemDiv1_009446 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009446?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009446 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.