ChemDiv1_013321
TL;DR: ChemDiv1_013321 (CAS 443354-50-5) is a chemical compound with molecular formula C29H26N4O4S and molecular weight 526.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-3-(1H-indol-3-yl)propanamide
Also Known As: ChemDiv1_013321, F0916-4615, N-(2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-3-(1H-indol-3-yl)propanamide, N-(2-((5-acetyl-2-methoxybenzyl)thio)-4-oxoquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamide, N-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-3-(1H-indol-3-yl)propanamide
| Molecular Formula | C29H26N4O4S |
|---|---|
| Molecular Weight | 526.17 g/mol |
| LogP | 5.0842 |
| Topological Polar Surface Area | 106.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 526.1675 |
| Heavy Atoms | 38 |
| Complexity | 1723.4121 |
Chemical Identifiers
| CAS Number | 443354-50-5 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=O)N2NC(=O)CCC4=CNC5=CC=CC=C54 |
Product Overview
ChemDiv1_013321 (CAS 443354-50-5), with molecular formula C29H26N4O4S and molecular weight 526.17 g/mol. IUPAC: N-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-3-(1H-indol-3-yl)propanamide.
Chemical Property Profile of ChemDiv1_013321
Property Insights of ChemDiv1_013321
The XLogP value of 5.0842 indicates that ChemDiv1_013321 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.08 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013321. Following Lipinski's Rule of Five, ChemDiv1_013321 has 2 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_013321?
The CAS number of ChemDiv1_013321 is 443354-50-5.
What is the molecular formula of ChemDiv1_013321?
The molecular formula of ChemDiv1_013321 is C29H26N4O4S.
What is the molecular weight of ChemDiv1_013321?
The molecular weight of ChemDiv1_013321 is 526.17 g/mol.
Where can I buy ChemDiv1_013321?
You can request a quote for ChemDiv1_013321 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013321?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013321 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.