ChemDiv2_004183
TL;DR: ChemDiv2_004183 (CAS 315695-50-2) is a chemical compound with molecular formula C21H21N3O3S and molecular weight 395.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-hydroxyethyl)-4-[(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylmethyl]benzamide
Also Known As: ChemDiv2_004183, BAS 03352720, IDI1_002898, BRD-K18477874-001-07-3, 4-(((3-allyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)methyl)-N-(2-hydroxyethyl)benzamide
| Molecular Formula | C21H21N3O3S |
|---|---|
| Molecular Weight | 395.13 g/mol |
| LogP | 2.5969 |
| Topological Polar Surface Area | 84.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 395.13037 |
| Heavy Atoms | 28 |
| Complexity | 1044.9403 |
Chemical Identifiers
| CAS Number | 315695-50-2 |
|---|---|
| SMILES | C=CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C(=O)NCCO |
Product Overview
ChemDiv2_004183 (CAS 315695-50-2), with molecular formula C21H21N3O3S and molecular weight 395.13 g/mol. IUPAC: N-(2-hydroxyethyl)-4-[(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylmethyl]benzamide.
Chemical Property Profile of ChemDiv2_004183
Property Insights of ChemDiv2_004183
The XLogP value of 2.5969 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_004183. The TPSA of 84.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004183. Following Lipinski's Rule of Five, ChemDiv2_004183 has 2 hydrogen bond donor(s) and 5 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 ChemDiv2_004183?
The CAS number of ChemDiv2_004183 is 315695-50-2.
What is the molecular formula of ChemDiv2_004183?
The molecular formula of ChemDiv2_004183 is C21H21N3O3S.
What is the molecular weight of ChemDiv2_004183?
The molecular weight of ChemDiv2_004183 is 395.13 g/mol.
Where can I buy ChemDiv2_004183?
You can request a quote for ChemDiv2_004183 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004183?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004183 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.