ChemDiv3_012893
TL;DR: ChemDiv3_012893 (CAS 689771-20-8) is a chemical compound with molecular formula C22H22N4O3S and molecular weight 422.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanylacetonitrile
Also Known As: ChemDiv3_012893, AB00615758-06, F6548-4192, {[3-(4-methoxybenzyl)-6-morpholin-4-yl-4-oxo-3,4-dihydroquinazolin-2-yl]thio}acetonitrile, 2-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanylacetonitrile
| Molecular Formula | C22H22N4O3S |
|---|---|
| Molecular Weight | 422.14 g/mol |
| LogP | 2.90568 |
| Topological Polar Surface Area | 80.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.14127 |
| Heavy Atoms | 30 |
| Complexity | 1132.0583 |
Chemical Identifiers
| CAS Number | 689771-20-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)N4CCOCC4)N=C2SCC#N |
Product Overview
ChemDiv3_012893 (CAS 689771-20-8), with molecular formula C22H22N4O3S and molecular weight 422.14 g/mol. IUPAC: 2-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanylacetonitrile.
Chemical Property Profile of ChemDiv3_012893
Property Insights of ChemDiv3_012893
The XLogP value of 2.90568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_012893. The TPSA of 80.38 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012893. Following Lipinski's Rule of Five, ChemDiv3_012893 has 0 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 ChemDiv3_012893?
The CAS number of ChemDiv3_012893 is 689771-20-8.
What is the molecular formula of ChemDiv3_012893?
The molecular formula of ChemDiv3_012893 is C22H22N4O3S.
What is the molecular weight of ChemDiv3_012893?
The molecular weight of ChemDiv3_012893 is 422.14 g/mol.
Where can I buy ChemDiv3_012893?
You can request a quote for ChemDiv3_012893 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012893?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012893 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.