ChemDiv1_003595
TL;DR: ChemDiv1_003595 (CAS 312626-71-4) is a chemical compound with molecular formula C27H23N3O2S and molecular weight 453.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one
Also Known As: ChemDiv1_003595, 2-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one, 2-[4-Methoxy-3-(pyridin-2-ylsulfanylmethyl)-phenyl]-3-phenyl-2,3-dihydro-1H-quinazolin-4-one, 2-{4-methoxy-3-[(2-pyridinylsulfanyl)methyl]phenyl}-3-phenyl-2,3-dihydro-4(1H)-quinazolinone, 2-{4-methoxy-3-[(pyridin-2-ylsulfanyl)methyl]phenyl}-3-phenyl-2,3-dihydroquinazolin-4(1H)-one
| Molecular Formula | C27H23N3O2S |
|---|---|
| Molecular Weight | 453.15 g/mol |
| LogP | 6.1536 |
| Topological Polar Surface Area | 54.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.1511 |
| Heavy Atoms | 33 |
| Complexity | 1264.8745 |
Chemical Identifiers
| CAS Number | 312626-71-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)CSC5=CC=CC=N5 |
Product Overview
ChemDiv1_003595 (CAS 312626-71-4), with molecular formula C27H23N3O2S and molecular weight 453.15 g/mol. IUPAC: 2-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one.
Chemical Property Profile of ChemDiv1_003595
Property Insights of ChemDiv1_003595
The XLogP value of 6.1536 indicates that ChemDiv1_003595 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.46 Ų, ChemDiv1_003595 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_003595 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_003595?
The CAS number of ChemDiv1_003595 is 312626-71-4.
What is the molecular formula of ChemDiv1_003595?
The molecular formula of ChemDiv1_003595 is C27H23N3O2S.
What is the molecular weight of ChemDiv1_003595?
The molecular weight of ChemDiv1_003595 is 453.15 g/mol.
Where can I buy ChemDiv1_003595?
You can request a quote for ChemDiv1_003595 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003595?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003595 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.