ChemDiv1_013364
TL;DR: ChemDiv1_013364 (CAS 422282-78-8) is a chemical compound with molecular formula C26H21ClN4O2S and molecular weight 488.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
Also Known As: ChemDiv1_013364, F0916-5088, 3-[(4-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide, N-(2-(1H-indol-3-yl)ethyl)-3-(4-chlorobenzyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
| Molecular Formula | C26H21ClN4O2S |
|---|---|
| Molecular Weight | 488.11 g/mol |
| LogP | 5.21459 |
| Topological Polar Surface Area | 82.68 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.10736 |
| Heavy Atoms | 34 |
| Complexity | 1633.3278 |
Chemical Identifiers
| CAS Number | 422282-78-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC=C(C=C5)Cl |
Product Overview
ChemDiv1_013364 (CAS 422282-78-8), with molecular formula C26H21ClN4O2S and molecular weight 488.11 g/mol. IUPAC: 3-[(4-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide.
Chemical Property Profile of ChemDiv1_013364
Property Insights of ChemDiv1_013364
The XLogP value of 5.21459 indicates that ChemDiv1_013364 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.68 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013364. Following Lipinski's Rule of Five, ChemDiv1_013364 has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013364?
The CAS number of ChemDiv1_013364 is 422282-78-8.
What is the molecular formula of ChemDiv1_013364?
The molecular formula of ChemDiv1_013364 is C26H21ClN4O2S.
What is the molecular weight of ChemDiv1_013364?
The molecular weight of ChemDiv1_013364 is 488.11 g/mol.
Where can I buy ChemDiv1_013364?
You can request a quote for ChemDiv1_013364 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013364?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013364 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.