ChemDiv1_013099
TL;DR: ChemDiv1_013099 (CAS 443354-33-4) is a chemical compound with molecular formula C29H27N5O4S and molecular weight 541.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-3-(1H-indol-3-yl)propanamide
Also Known As: ChemDiv1_013099, F0916-4604, N-[2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-3-(1H-indol-3-yl)propanamide, N-(2-((2-((4-ethoxyphenyl)amino)-2-oxoethyl)thio)-4-oxoquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamide, N-[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-3-(1H-indol-3-yl)propanamide
| Molecular Formula | C29H27N5O4S |
|---|---|
| Molecular Weight | 541.18 g/mol |
| LogP | 4.7102 |
| Topological Polar Surface Area | 118.11 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 541.1784 |
| Heavy Atoms | 39 |
| Complexity | 1694.1569 |
Chemical Identifiers
| CAS Number | 443354-33-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2NC(=O)CCC4=CNC5=CC=CC=C54 |
Product Overview
ChemDiv1_013099 (CAS 443354-33-4), with molecular formula C29H27N5O4S and molecular weight 541.18 g/mol. IUPAC: N-[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-3-(1H-indol-3-yl)propanamide.
Chemical Property Profile of ChemDiv1_013099
Property Insights of ChemDiv1_013099
The XLogP value of 4.7102 indicates that ChemDiv1_013099 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013099. Following Lipinski's Rule of Five, ChemDiv1_013099 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013099?
The CAS number of ChemDiv1_013099 is 443354-33-4.
What is the molecular formula of ChemDiv1_013099?
The molecular formula of ChemDiv1_013099 is C29H27N5O4S.
What is the molecular weight of ChemDiv1_013099?
The molecular weight of ChemDiv1_013099 is 541.18 g/mol.
Where can I buy ChemDiv1_013099?
You can request a quote for ChemDiv1_013099 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013099?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013099 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.