ChemDiv1_013185
TL;DR: ChemDiv1_013185 (CAS 443354-13-0) is a chemical compound with molecular formula C29H29N5O4S and molecular weight 543.19 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]-2-phenylacetamide
Also Known As: ChemDiv1_013185, F0916-4588, N-[2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-2-phenylacetamide, N-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-2-phenylacetamide, N-(2-((2-(4-(2-methoxyphenyl)piperazin-1-yl)-2-oxoethyl)thio)-4-oxoquinazolin-3(4H)-yl)-2-phenylacetamide
| Molecular Formula | C29H29N5O4S |
|---|---|
| Molecular Weight | 543.19 g/mol |
| LogP | 3.1588 |
| Topological Polar Surface Area | 96.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 543.19403 |
| Heavy Atoms | 39 |
| Complexity | 1533.9965 |
Chemical Identifiers
| CAS Number | 443354-13-0 |
|---|---|
| SMILES | COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3NC(=O)CC5=CC=CC=C5 |
Product Overview
ChemDiv1_013185 (CAS 443354-13-0), with molecular formula C29H29N5O4S and molecular weight 543.19 g/mol. IUPAC: N-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-2-phenylacetamide.
Chemical Property Profile of ChemDiv1_013185
Property Insights of ChemDiv1_013185
The XLogP value of 3.1588 indicates that ChemDiv1_013185 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_013185. Following Lipinski's Rule of Five, ChemDiv1_013185 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_013185?
The CAS number of ChemDiv1_013185 is 443354-13-0.
What is the molecular formula of ChemDiv1_013185?
The molecular formula of ChemDiv1_013185 is C29H29N5O4S.
What is the molecular weight of ChemDiv1_013185?
The molecular weight of ChemDiv1_013185 is 543.19 g/mol.
Where can I buy ChemDiv1_013185?
You can request a quote for ChemDiv1_013185 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013185?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013185 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.