ChemDiv1_009459
TL;DR: ChemDiv1_009459 (CAS 312310-72-8) is a chemical compound with molecular formula C26H23N5O4 and molecular weight 469.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-1,2-dihydroquinazolin-4-one
Also Known As: ChemDiv1_009459, BAS 02499708, BIM-0006128.P001, AJ-292/15008624, 3-benzyl-2-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-1,2-dihydroquinazolin-4-one
| Molecular Formula | C26H23N5O4 |
|---|---|
| Molecular Weight | 469.18 g/mol |
| LogP | 4.6149 |
| Topological Polar Surface Area | 102.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 469.17502 |
| Heavy Atoms | 35 |
| Complexity | 1385.5248 |
Chemical Identifiers
| CAS Number | 312310-72-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)CN5C=C(C=N5)[N+](=O)[O-] |
Product Overview
ChemDiv1_009459 (CAS 312310-72-8), with molecular formula C26H23N5O4 and molecular weight 469.18 g/mol. IUPAC: 3-benzyl-2-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-1,2-dihydroquinazolin-4-one.
Chemical Property Profile of ChemDiv1_009459
Property Insights of ChemDiv1_009459
The XLogP value of 4.6149 indicates that ChemDiv1_009459 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.53 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009459. Following Lipinski's Rule of Five, ChemDiv1_009459 has 1 hydrogen bond donor(s) and 6 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_009459?
The CAS number of ChemDiv1_009459 is 312310-72-8.
What is the molecular formula of ChemDiv1_009459?
The molecular formula of ChemDiv1_009459 is C26H23N5O4.
What is the molecular weight of ChemDiv1_009459?
The molecular weight of ChemDiv1_009459 is 469.18 g/mol.
Where can I buy ChemDiv1_009459?
You can request a quote for ChemDiv1_009459 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009459?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009459 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.