ChemDiv1_013233
TL;DR: ChemDiv1_013233 (CAS 443354-48-1) is a chemical compound with molecular formula C26H27N5O4S and molecular weight 505.18 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-(oxolan-2-ylmethylamino)ethyl]sulfanylquinazolin-3-yl]propanamide
Also Known As: ChemDiv1_013233, 3-(1H-indol-3-yl)-N-{4-oxo-2-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-3,4-dihydroquinazolin-3-yl}propanamide, F0916-4612, 3-(1H-indol-3-yl)-N-(4-oxo-2-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)quinazolin-3(4H)-yl)propanamide, 3-(1H-indol-3-yl)-N-[4-oxo-2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylquinazolin-3-yl]propanamide
| Molecular Formula | C26H27N5O4S |
|---|---|
| Molecular Weight | 505.18 g/mol |
| LogP | 2.968 |
| Topological Polar Surface Area | 118.11 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 505.17838 |
| Heavy Atoms | 36 |
| Complexity | 1457.7766 |
Chemical Identifiers
| CAS Number | 443354-48-1 |
|---|---|
| SMILES | C1CC(OC1)CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2NC(=O)CCC4=CNC5=CC=CC=C54 |
Product Overview
ChemDiv1_013233 (CAS 443354-48-1), with molecular formula C26H27N5O4S and molecular weight 505.18 g/mol. IUPAC: 3-(1H-indol-3-yl)-N-[4-oxo-2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylquinazolin-3-yl]propanamide.
Chemical Property Profile of ChemDiv1_013233
Property Insights of ChemDiv1_013233
The XLogP value of 2.968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_013233. The TPSA of 118.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013233. Following Lipinski's Rule of Five, ChemDiv1_013233 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_013233?
The CAS number of ChemDiv1_013233 is 443354-48-1.
What is the molecular formula of ChemDiv1_013233?
The molecular formula of ChemDiv1_013233 is C26H27N5O4S.
What is the molecular weight of ChemDiv1_013233?
The molecular weight of ChemDiv1_013233 is 505.18 g/mol.
Where can I buy ChemDiv1_013233?
You can request a quote for ChemDiv1_013233 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013233?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013233 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.