3-isobutoxy-2-methoxyquinazolin-4(3H)-one
TL;DR: 3-isobutoxy-2-methoxyquinazolin-4(3H)-one (CAS 842958-56-9) is a chemical compound with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-3-(2-methylpropoxy)quinazolin-4-one
Also Known As: 3-isobutoxy-2-methoxyquinazolin-4(3H)-one, 2-methoxy-3-(2-methylpropoxy)quinazolin-4-one
| Molecular Formula | C13H16N2O3 |
|---|---|
| Molecular Weight | 248.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.11609 |
| Heavy Atoms | 18 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 842958-56-9 |
|---|---|
| SMILES | CC(C)CON1C(=O)C2=CC=CC=C2N=C1OC |
| InChIKey | DYFMYTOWFJTYJD-UHFFFAOYSA-N |
Product Overview
3-isobutoxy-2-methoxyquinazolin-4(3H)-one (CAS 842958-56-9), with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol. IUPAC: 2-methoxy-3-(2-methylpropoxy)quinazolin-4-one.
Chemical Property Profile of 3-isobutoxy-2-methoxyquinazolin-4(3H)-one
Property Insights of 3-isobutoxy-2-methoxyquinazolin-4(3H)-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-isobutoxy-2-methoxyquinazolin-4(3H)-one. With a topological polar surface area (TPSA) of 51.1 Ų, 3-isobutoxy-2-methoxyquinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-isobutoxy-2-methoxyquinazolin-4(3H)-one has 0 hydrogen bond donor(s) and 4 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-isobutoxy-2-methoxyquinazolin-4(3H)-one?
The CAS number of 3-isobutoxy-2-methoxyquinazolin-4(3H)-one is 842958-56-9.
What is the molecular formula of 3-isobutoxy-2-methoxyquinazolin-4(3H)-one?
The molecular formula of 3-isobutoxy-2-methoxyquinazolin-4(3H)-one is C13H16N2O3.
What is the molecular weight of 3-isobutoxy-2-methoxyquinazolin-4(3H)-one?
The molecular weight of 3-isobutoxy-2-methoxyquinazolin-4(3H)-one is 248.12 g/mol.
Where can I buy 3-isobutoxy-2-methoxyquinazolin-4(3H)-one?
You can request a quote for 3-isobutoxy-2-methoxyquinazolin-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-isobutoxy-2-methoxyquinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-isobutoxy-2-methoxyquinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.