3-(Aminomethyl)quinazolin-4(3h)-one
TL;DR: 3-(Aminomethyl)quinazolin-4(3h)-one (CAS 69061-85-4) is a chemical compound with molecular formula C9H9N3O and molecular weight 175.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(aminomethyl)quinazolin-4-one
Also Known As: 3-(aminomethyl)quinazolin-4(3h)-one, 3-(aminomethyl)quinazolin-4-one, 3-(aminomethyl)-3,4-dihydroquinazolin-4-one, 4(3H)-Quinazolinone, 3-(aminomethyl)-
| Molecular Formula | C9H9N3O |
|---|---|
| Molecular Weight | 175.07 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 58.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.07455 |
| Heavy Atoms | 13 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 69061-85-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C=N2)CN |
| InChIKey | TUYJMWQCRJULQY-UHFFFAOYSA-N |
Product Overview
3-(Aminomethyl)quinazolin-4(3h)-one (CAS 69061-85-4), with molecular formula C9H9N3O and molecular weight 175.07 g/mol. IUPAC: 3-(aminomethyl)quinazolin-4-one.
Chemical Property Profile of 3-(Aminomethyl)quinazolin-4(3h)-one
Property Insights of 3-(Aminomethyl)quinazolin-4(3h)-one
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Aminomethyl)quinazolin-4(3h)-one. With a topological polar surface area (TPSA) of 58.7 Ų, 3-(Aminomethyl)quinazolin-4(3h)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Aminomethyl)quinazolin-4(3h)-one has 1 hydrogen bond donor(s) and 3 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-(Aminomethyl)quinazolin-4(3h)-one?
The CAS number of 3-(Aminomethyl)quinazolin-4(3h)-one is 69061-85-4.
What is the molecular formula of 3-(Aminomethyl)quinazolin-4(3h)-one?
The molecular formula of 3-(Aminomethyl)quinazolin-4(3h)-one is C9H9N3O.
What is the molecular weight of 3-(Aminomethyl)quinazolin-4(3h)-one?
The molecular weight of 3-(Aminomethyl)quinazolin-4(3h)-one is 175.07 g/mol.
Where can I buy 3-(Aminomethyl)quinazolin-4(3h)-one?
You can request a quote for 3-(Aminomethyl)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-(Aminomethyl)quinazolin-4(3h)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Aminomethyl)quinazolin-4(3h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.