ChemDiv3_012584
TL;DR: ChemDiv3_012584 (CAS 688055-27-8) is a chemical compound with molecular formula C17H19N3O4S and molecular weight 361.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclopentyl-3-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propanamide
Also Known As: ChemDiv3_012584, BRD-K83939089-001-01-6, N-cyclopentyl-3-(8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)propanamide, F0919-6716, N-cyclopentyl-3-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propanamide
| Molecular Formula | C17H19N3O4S |
|---|---|
| Molecular Weight | 361.11 g/mol |
| LogP | 2.23669 |
| Topological Polar Surface Area | 85.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.10962 |
| Heavy Atoms | 25 |
| Complexity | 943.2841 |
Chemical Identifiers
| CAS Number | 688055-27-8 |
|---|---|
| SMILES | C1CCC(C1)NC(=O)CCN2C(=O)C3=CC4=C(C=C3NC2=S)OCO4 |
Product Overview
ChemDiv3_012584 (CAS 688055-27-8), with molecular formula C17H19N3O4S and molecular weight 361.11 g/mol. IUPAC: N-cyclopentyl-3-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propanamide.
Chemical Property Profile of ChemDiv3_012584
Property Insights of ChemDiv3_012584
The XLogP value of 2.23669 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_012584. The TPSA of 85.35 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012584. Following Lipinski's Rule of Five, ChemDiv3_012584 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 ChemDiv3_012584?
The CAS number of ChemDiv3_012584 is 688055-27-8.
What is the molecular formula of ChemDiv3_012584?
The molecular formula of ChemDiv3_012584 is C17H19N3O4S.
What is the molecular weight of ChemDiv3_012584?
The molecular weight of ChemDiv3_012584 is 361.11 g/mol.
Where can I buy ChemDiv3_012584?
You can request a quote for ChemDiv3_012584 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012584?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012584 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.