ChemDiv1_013087
TL;DR: ChemDiv1_013087 (CAS 438574-71-1) is a chemical compound with molecular formula C24H26N4O2S and molecular weight 434.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(1H-indol-3-yl)ethyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
Also Known As: ChemDiv1_013087, VU0512513-1, F3168-1675, N-[2-(1H-indol-3-yl)ethyl]-6-(4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)hexanamide, N-(2-(1H-indol-3-yl)ethyl)-6-(4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)hexanamide
| Molecular Formula | C24H26N4O2S |
|---|---|
| Molecular Weight | 434.18 g/mol |
| LogP | 4.45969 |
| Topological Polar Surface Area | 82.68 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 434.17764 |
| Heavy Atoms | 31 |
| Complexity | 1318.4064 |
Chemical Identifiers
| CAS Number | 438574-71-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S |
Product Overview
ChemDiv1_013087 (CAS 438574-71-1), with molecular formula C24H26N4O2S and molecular weight 434.18 g/mol. IUPAC: N-[2-(1H-indol-3-yl)ethyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide.
Chemical Property Profile of ChemDiv1_013087
Property Insights of ChemDiv1_013087
The XLogP value of 4.45969 indicates that ChemDiv1_013087 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_013087. Following Lipinski's Rule of Five, ChemDiv1_013087 has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013087?
The CAS number of ChemDiv1_013087 is 438574-71-1.
What is the molecular formula of ChemDiv1_013087?
The molecular formula of ChemDiv1_013087 is C24H26N4O2S.
What is the molecular weight of ChemDiv1_013087?
The molecular weight of ChemDiv1_013087 is 434.18 g/mol.
Where can I buy ChemDiv1_013087?
You can request a quote for ChemDiv1_013087 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013087?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013087 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.