6-(1,3-Diazinan-2-ylidene)cyclohexa-2,4-dien-1-one
TL;DR: 6-(1,3-Diazinan-2-ylidene)cyclohexa-2,4-dien-1-one (CAS 65739-64-2) is a chemical compound with molecular formula C10H12N2O and molecular weight 176.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol
Also Known As: 6-(1,3-diazinan-2-ylidene)cyclohexa-2,4-dien-1-one, 2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol, J3.014.919J, J3.557.681I, 2-(1,4,5,6-Tetrahydropyrimidine-2-yl)phenol
| Molecular Formula | C10H12N2O |
|---|---|
| Molecular Weight | 176.09 g/mol |
| LogP | 1.1321 |
| Topological Polar Surface Area | 44.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.09496 |
| Heavy Atoms | 13 |
| Complexity | 333.45157 |
Chemical Identifiers
| CAS Number | 65739-64-2 |
|---|---|
| SMILES | C1CNC(=NC1)C2=CC=CC=C2O |
Product Overview
6-(1,3-Diazinan-2-ylidene)cyclohexa-2,4-dien-1-one (CAS 65739-64-2), with molecular formula C10H12N2O and molecular weight 176.09 g/mol. IUPAC: 2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol.
Chemical Property Profile of 6-(1,3-Diazinan-2-ylidene)cyclohexa-2,4-dien-1-one
Property Insights of 6-(1,3-Diazinan-2-ylidene)cyclohexa-2,4-dien-1-one
The XLogP value of 1.1321 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(1,3-Diazinan-2-ylidene)cyclohexa-2,4-dien-1-one. With a topological polar surface area (TPSA) of 44.62 Ų, 6-(1,3-Diazinan-2-ylidene)cyclohexa-2,4-dien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(1,3-Diazinan-2-ylidene)cyclohexa-2,4-dien-1-one has 2 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 6-(1,3-Diazinan-2-ylidene)cyclohexa-2,4-dien-1-one?
The CAS number of 6-(1,3-Diazinan-2-ylidene)cyclohexa-2,4-dien-1-one is 65739-64-2.
What is the molecular formula of 6-(1,3-Diazinan-2-ylidene)cyclohexa-2,4-dien-1-one?
The molecular formula of 6-(1,3-Diazinan-2-ylidene)cyclohexa-2,4-dien-1-one is C10H12N2O.
What is the molecular weight of 6-(1,3-Diazinan-2-ylidene)cyclohexa-2,4-dien-1-one?
The molecular weight of 6-(1,3-Diazinan-2-ylidene)cyclohexa-2,4-dien-1-one is 176.09 g/mol.
Where can I buy 6-(1,3-Diazinan-2-ylidene)cyclohexa-2,4-dien-1-one?
You can request a quote for 6-(1,3-Diazinan-2-ylidene)cyclohexa-2,4-dien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(1,3-Diazinan-2-ylidene)cyclohexa-2,4-dien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(1,3-Diazinan-2-ylidene)cyclohexa-2,4-dien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.