3,6-dihydro-2H-pyridin-1-yl(phenyl)methanone
TL;DR: 3,6-dihydro-2H-pyridin-1-yl(phenyl)methanone (CAS 71785-91-6) is a chemical compound with molecular formula C12H13NO and molecular weight 187.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dihydro-2H-pyridin-1-yl(phenyl)methanone
Also Known As: 3,6-dihydro-2H-pyridin-1-yl(phenyl)methanone, 1-Benzoyl-1,2,3,6-tetrahydropyridine, 1Benzoyl-1,2,3,6-tetrahydropyridine, Pyridine, 1-benzoyl-1,2,3,6-tetrahydro-, (3,6-Dihydropyridin-1(2H)-yl)(phenyl)methanone
| Molecular Formula | C12H13NO |
|---|---|
| Molecular Weight | 187.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.09972 |
| Heavy Atoms | 14 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 71785-91-6 |
|---|---|
| SMILES | C1CN(CC=C1)C(=O)C2=CC=CC=C2 |
| InChIKey | WTQFYZYMRHBEJQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,6-dihydro-2H-pyridin-1-yl(phenyl)methanone (CAS 71785-91-6), with molecular formula C12H13NO and molecular weight 187.10 g/mol. IUPAC: 3,6-dihydro-2H-pyridin-1-yl(phenyl)methanone.
Chemical Property Profile of 3,6-dihydro-2H-pyridin-1-yl(phenyl)methanone
Property Insights of 3,6-dihydro-2H-pyridin-1-yl(phenyl)methanone
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-dihydro-2H-pyridin-1-yl(phenyl)methanone. With a topological polar surface area (TPSA) of 20.3 Ų, 3,6-dihydro-2H-pyridin-1-yl(phenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-dihydro-2H-pyridin-1-yl(phenyl)methanone has 0 hydrogen bond donor(s) and 1 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 3,6-dihydro-2H-pyridin-1-yl(phenyl)methanone?
The CAS number of 3,6-dihydro-2H-pyridin-1-yl(phenyl)methanone is 71785-91-6.
What is the molecular formula of 3,6-dihydro-2H-pyridin-1-yl(phenyl)methanone?
The molecular formula of 3,6-dihydro-2H-pyridin-1-yl(phenyl)methanone is C12H13NO.
What is the molecular weight of 3,6-dihydro-2H-pyridin-1-yl(phenyl)methanone?
The molecular weight of 3,6-dihydro-2H-pyridin-1-yl(phenyl)methanone is 187.10 g/mol.
Where can I buy 3,6-dihydro-2H-pyridin-1-yl(phenyl)methanone?
You can request a quote for 3,6-dihydro-2H-pyridin-1-yl(phenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-dihydro-2H-pyridin-1-yl(phenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for 3,6-dihydro-2H-pyridin-1-yl(phenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.