ChemDiv1_014029
TL;DR: ChemDiv1_014029 (CAS 403729-58-8) is a chemical compound with molecular formula C28H31N5O5S and molecular weight 549.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxo-3-prop-2-enylquinazoline-7-carbonyl]piperidine-4-carboxamide
Also Known As: ChemDiv1_014029, 1-[2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carbonyl]piperidine-4-carboxamide, F0912-3620, 1-(3-allyl-2-((2-((4-ethoxyphenyl)amino)-2-oxoethyl)thio)-4-oxo-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide, 1-[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxo-3-prop-2-enylquinazoline-7-carbonyl]piperidine-4-carboxamide
| Molecular Formula | C28H31N5O5S |
|---|---|
| Molecular Weight | 549.20 g/mol |
| LogP | 3.0495 |
| Topological Polar Surface Area | 136.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 549.2046 |
| Heavy Atoms | 39 |
| Complexity | 1445.2145 |
Chemical Identifiers
| CAS Number | 403729-58-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCC(CC4)C(=O)N)C(=O)N2CC=C |
Product Overview
ChemDiv1_014029 (CAS 403729-58-8), with molecular formula C28H31N5O5S and molecular weight 549.20 g/mol. IUPAC: 1-[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxo-3-prop-2-enylquinazoline-7-carbonyl]piperidine-4-carboxamide.
Chemical Property Profile of ChemDiv1_014029
Property Insights of ChemDiv1_014029
The XLogP value of 3.0495 indicates that ChemDiv1_014029 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.62 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_014029. Following Lipinski's Rule of Five, ChemDiv1_014029 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_014029?
The CAS number of ChemDiv1_014029 is 403729-58-8.
What is the molecular formula of ChemDiv1_014029?
The molecular formula of ChemDiv1_014029 is C28H31N5O5S.
What is the molecular weight of ChemDiv1_014029?
The molecular weight of ChemDiv1_014029 is 549.20 g/mol.
Where can I buy ChemDiv1_014029?
You can request a quote for ChemDiv1_014029 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014029?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014029 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.