ChemDiv1_013319
TL;DR: ChemDiv1_013319 (CAS 422278-60-2) is a chemical compound with molecular formula C29H27N5O3S and molecular weight 525.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1H-indol-3-yl)-N-[4-oxo-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylquinazolin-3-yl]propanamide
Also Known As: ChemDiv1_013319, F3168-1730, 3-(1H-indol-3-yl)-N-[4-oxo-2-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-3,4-dihydroquinazolin-3-yl]propanamide, 3-(1H-indol-3-yl)-N-(4-oxo-2-((2-oxo-2-(phenethylamino)ethyl)thio)quinazolin-3(4H)-yl)propanamide, 3-(1H-indol-3-yl)-N-[4-oxo-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylquinazolin-3-yl]propanamide
| Molecular Formula | C29H27N5O3S |
|---|---|
| Molecular Weight | 525.18 g/mol |
| LogP | 4.0317 |
| Topological Polar Surface Area | 108.88 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 525.1835 |
| Heavy Atoms | 38 |
| Complexity | 1645.0054 |
Chemical Identifiers
| CAS Number | 422278-60-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2NC(=O)CCC4=CNC5=CC=CC=C54 |
Product Overview
ChemDiv1_013319 (CAS 422278-60-2), with molecular formula C29H27N5O3S and molecular weight 525.18 g/mol. IUPAC: 3-(1H-indol-3-yl)-N-[4-oxo-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylquinazolin-3-yl]propanamide.
Chemical Property Profile of ChemDiv1_013319
Property Insights of ChemDiv1_013319
The XLogP value of 4.0317 indicates that ChemDiv1_013319 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.88 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013319. Following Lipinski's Rule of Five, ChemDiv1_013319 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013319?
The CAS number of ChemDiv1_013319 is 422278-60-2.
What is the molecular formula of ChemDiv1_013319?
The molecular formula of ChemDiv1_013319 is C29H27N5O3S.
What is the molecular weight of ChemDiv1_013319?
The molecular weight of ChemDiv1_013319 is 525.18 g/mol.
Where can I buy ChemDiv1_013319?
You can request a quote for ChemDiv1_013319 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013319?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013319 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.