ChemDiv1_013746
TL;DR: ChemDiv1_013746 (CAS 451467-04-2) is a chemical compound with molecular formula C24H26N4O5S and molecular weight 482.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-ylmethyl)-N-(3-morpholin-4-ylpropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
Also Known As: ChemDiv1_013746, F0916-6376, 3-(1,3-benzodioxol-5-ylmethyl)-N-(3-morpholin-4-ylpropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide, 3-(benzo[d][1,3]dioxol-5-ylmethyl)-N-(3-morpholinopropyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide, 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[3-(morpholin-4-yl)propyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
| Molecular Formula | C24H26N4O5S |
|---|---|
| Molecular Weight | 482.16 g/mol |
| LogP | 2.28819 |
| Topological Polar Surface Area | 97.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 482.16238 |
| Heavy Atoms | 34 |
| Complexity | 1329.1683 |
Chemical Identifiers
| CAS Number | 451467-04-2 |
|---|---|
| SMILES | C1COCCN1CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC5=C(C=C4)OCO5 |
Product Overview
ChemDiv1_013746 (CAS 451467-04-2), with molecular formula C24H26N4O5S and molecular weight 482.16 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethyl)-N-(3-morpholin-4-ylpropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide.
Chemical Property Profile of ChemDiv1_013746
Property Insights of ChemDiv1_013746
The XLogP value of 2.28819 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_013746. The TPSA of 97.82 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013746. Following Lipinski's Rule of Five, ChemDiv1_013746 has 2 hydrogen bond donor(s) and 7 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_013746?
The CAS number of ChemDiv1_013746 is 451467-04-2.
What is the molecular formula of ChemDiv1_013746?
The molecular formula of ChemDiv1_013746 is C24H26N4O5S.
What is the molecular weight of ChemDiv1_013746?
The molecular weight of ChemDiv1_013746 is 482.16 g/mol.
Where can I buy ChemDiv1_013746?
You can request a quote for ChemDiv1_013746 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013746?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013746 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.