ChemDiv1_013322
TL;DR: ChemDiv1_013322 (CAS 451465-07-9) is a chemical compound with molecular formula C30H32N4O5S and molecular weight 560.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-N-(2-phenylethyl)butanamide
Also Known As: ChemDiv1_013322, 4-[2-({[(2,4-dimethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-N-(2-phenylethyl)butanamide, F0916-5130, 4-(2-((2-((2,4-dimethoxyphenyl)amino)-2-oxoethyl)thio)-4-oxoquinazolin-3(4H)-yl)-N-phenethylbutanamide, 4-[2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-N-(2-phenylethyl)butanamide
| Molecular Formula | C30H32N4O5S |
|---|---|
| Molecular Weight | 560.21 g/mol |
| LogP | 4.2836 |
| Topological Polar Surface Area | 111.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 560.20935 |
| Heavy Atoms | 40 |
| Complexity | 1524.0707 |
Chemical Identifiers
| CAS Number | 451465-07-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCCC4=CC=CC=C4)OC |
Product Overview
ChemDiv1_013322 (CAS 451465-07-9), with molecular formula C30H32N4O5S and molecular weight 560.21 g/mol. IUPAC: 4-[2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-N-(2-phenylethyl)butanamide.
Chemical Property Profile of ChemDiv1_013322
Property Insights of ChemDiv1_013322
The XLogP value of 4.2836 indicates that ChemDiv1_013322 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.55 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013322. Following Lipinski's Rule of Five, ChemDiv1_013322 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013322?
The CAS number of ChemDiv1_013322 is 451465-07-9.
What is the molecular formula of ChemDiv1_013322?
The molecular formula of ChemDiv1_013322 is C30H32N4O5S.
What is the molecular weight of ChemDiv1_013322?
The molecular weight of ChemDiv1_013322 is 560.21 g/mol.
Where can I buy ChemDiv1_013322?
You can request a quote for ChemDiv1_013322 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013322?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013322 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.