ChemDiv3_012721
TL;DR: ChemDiv3_012721 (CAS 689766-12-9) is a chemical compound with molecular formula C22H30N4O3S and molecular weight 430.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-morpholin-4-ylethyl)-4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide
Also Known As: ChemDiv3_012721, BRD-K17034212-001-01-7, F0921-6827, N-(2-morpholinoethyl)-4-((4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)cyclohexanecarboxamide, N-(2-morpholin-4-ylethyl)-4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide
| Molecular Formula | C22H30N4O3S |
|---|---|
| Molecular Weight | 430.20 g/mol |
| LogP | 2.31389 |
| Topological Polar Surface Area | 79.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.20386 |
| Heavy Atoms | 30 |
| Complexity | 987.7756 |
Chemical Identifiers
| CAS Number | 689766-12-9 |
|---|---|
| SMILES | C1CC(CCC1CN2C(=O)C3=CC=CC=C3NC2=S)C(=O)NCCN4CCOCC4 |
Product Overview
ChemDiv3_012721 (CAS 689766-12-9), with molecular formula C22H30N4O3S and molecular weight 430.20 g/mol. IUPAC: N-(2-morpholin-4-ylethyl)-4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide.
Chemical Property Profile of ChemDiv3_012721
Property Insights of ChemDiv3_012721
The XLogP value of 2.31389 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_012721. The TPSA of 79.36 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012721. Following Lipinski's Rule of Five, ChemDiv3_012721 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_012721?
The CAS number of ChemDiv3_012721 is 689766-12-9.
What is the molecular formula of ChemDiv3_012721?
The molecular formula of ChemDiv3_012721 is C22H30N4O3S.
What is the molecular weight of ChemDiv3_012721?
The molecular weight of ChemDiv3_012721 is 430.20 g/mol.
Where can I buy ChemDiv3_012721?
You can request a quote for ChemDiv3_012721 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012721?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012721 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.