ChemDiv1_013095
TL;DR: ChemDiv1_013095 (CAS 443353-79-5) is a chemical compound with molecular formula C28H27N5O4S and molecular weight 529.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]benzamide
Also Known As: ChemDiv1_013095, F0916-4569, N-[2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]benzamide, N-(2-((2-(4-(2-methoxyphenyl)piperazin-1-yl)-2-oxoethyl)thio)-4-oxoquinazolin-3(4H)-yl)benzamide, N-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]benzamide
| Molecular Formula | C28H27N5O4S |
|---|---|
| Molecular Weight | 529.18 g/mol |
| LogP | 3.2299 |
| Topological Polar Surface Area | 96.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 529.1784 |
| Heavy Atoms | 38 |
| Complexity | 1516.9705 |
Chemical Identifiers
| CAS Number | 443353-79-5 |
|---|---|
| SMILES | COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3NC(=O)C5=CC=CC=C5 |
Product Overview
ChemDiv1_013095 (CAS 443353-79-5), with molecular formula C28H27N5O4S and molecular weight 529.18 g/mol. IUPAC: N-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]benzamide.
Chemical Property Profile of ChemDiv1_013095
Property Insights of ChemDiv1_013095
The XLogP value of 3.2299 indicates that ChemDiv1_013095 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.77 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013095. Following Lipinski's Rule of Five, ChemDiv1_013095 has 1 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_013095?
The CAS number of ChemDiv1_013095 is 443353-79-5.
What is the molecular formula of ChemDiv1_013095?
The molecular formula of ChemDiv1_013095 is C28H27N5O4S.
What is the molecular weight of ChemDiv1_013095?
The molecular weight of ChemDiv1_013095 is 529.18 g/mol.
Where can I buy ChemDiv1_013095?
You can request a quote for ChemDiv1_013095 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013095?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013095 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.