ChemDiv1_003639
TL;DR: ChemDiv1_003639 (CAS 312626-72-5) is a chemical compound with molecular formula C32H31ClN2O3 and molecular weight 526.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-4-methoxyphenyl]-3-phenyl-1,2-dihydroquinazolin-4-one
Also Known As: ChemDiv1_003639, 2-(3-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}-4-methoxyphenyl)-3-phenyl-2,3-dihydroquinazolin-4(1H)-one, 2-(3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxyphenyl)-3-phenyl-2,3-dihydroquinazolin-4(1H)-one, 2-(3-{[4-CHLORO-5-METHYL-2-(PROPAN-2-YL)PHENOXY]METHYL}-4-METHOXYPHENYL)-3-PHENYL-1,2,3,4-TETRAHYDROQUINAZOLIN-4-ONE, 2-[3-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-4-methoxyphenyl]-3-phenyl-1,2-dihydroquinazolin-4-one
| Molecular Formula | C32H31ClN2O3 |
|---|---|
| Molecular Weight | 526.20 g/mol |
| LogP | 8.13052 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 526.20233 |
| Heavy Atoms | 38 |
| Complexity | 1469.2744 |
Chemical Identifiers
| CAS Number | 312626-72-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Cl)C(C)C)OCC2=C(C=CC(=C2)C3NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5)OC |
Product Overview
ChemDiv1_003639 (CAS 312626-72-5), with molecular formula C32H31ClN2O3 and molecular weight 526.20 g/mol. IUPAC: 2-[3-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-4-methoxyphenyl]-3-phenyl-1,2-dihydroquinazolin-4-one.
Chemical Property Profile of ChemDiv1_003639
Property Insights of ChemDiv1_003639
The XLogP value of 8.13052 indicates that ChemDiv1_003639 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, ChemDiv1_003639 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_003639 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_003639?
The CAS number of ChemDiv1_003639 is 312626-72-5.
What is the molecular formula of ChemDiv1_003639?
The molecular formula of ChemDiv1_003639 is C32H31ClN2O3.
What is the molecular weight of ChemDiv1_003639?
The molecular weight of ChemDiv1_003639 is 526.20 g/mol.
Where can I buy ChemDiv1_003639?
You can request a quote for ChemDiv1_003639 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003639?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003639 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.