3-(chloromethyl)quinazolin-4(3H)-one
TL;DR: 3-(chloromethyl)quinazolin-4(3H)-one (CAS 99067-49-9) is a chemical compound with molecular formula C9H7ClN2O and molecular weight 194.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(chloromethyl)quinazolin-4-one
Also Known As: 3-(chloromethyl)quinazolin-4(3H)-one, 3-(chloromethyl)quinazolin-4-one, 3-Chloromethyl-3H-quinazolin-4-one, 3-(chloromethyl)-3,4-dihydroquinazolin-4-one, 4(3h)-quinazolinone,3-(chloromethyl)-
| Molecular Formula | C9H7ClN2O |
|---|---|
| Molecular Weight | 194.02 g/mol |
| LogP | 1.5928 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.02469 |
| Heavy Atoms | 13 |
| Complexity | 492.18384 |
Chemical Identifiers
| CAS Number | 99067-49-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C=N2)CCl |
Product Overview
3-(chloromethyl)quinazolin-4(3H)-one (CAS 99067-49-9), with molecular formula C9H7ClN2O and molecular weight 194.02 g/mol. IUPAC: 3-(chloromethyl)quinazolin-4-one.
Chemical Property Profile of 3-(chloromethyl)quinazolin-4(3H)-one
Property Insights of 3-(chloromethyl)quinazolin-4(3H)-one
The XLogP value of 1.5928 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(chloromethyl)quinazolin-4(3H)-one. With a topological polar surface area (TPSA) of 34.89 Ų, 3-(chloromethyl)quinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(chloromethyl)quinazolin-4(3H)-one has 0 hydrogen bond donor(s) and 2 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 3-(chloromethyl)quinazolin-4(3H)-one?
The CAS number of 3-(chloromethyl)quinazolin-4(3H)-one is 99067-49-9.
What is the molecular formula of 3-(chloromethyl)quinazolin-4(3H)-one?
The molecular formula of 3-(chloromethyl)quinazolin-4(3H)-one is C9H7ClN2O.
What is the molecular weight of 3-(chloromethyl)quinazolin-4(3H)-one?
The molecular weight of 3-(chloromethyl)quinazolin-4(3H)-one is 194.02 g/mol.
Where can I buy 3-(chloromethyl)quinazolin-4(3H)-one?
You can request a quote for 3-(chloromethyl)quinazolin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(chloromethyl)quinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(chloromethyl)quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.