![1-(2,3,4,5,6,7,8,9-Octahydrocyclohepta[b]pyridin-1-yl)ethanone structure](/static/products/4289/42899-30-9.webp)
1-(2,3,4,5,6,7,8,9-Octahydrocyclohepta[b]pyridin-1-yl)ethanone
TL;DR: 1-(2,3,4,5,6,7,8,9-Octahydrocyclohepta[b]pyridin-1-yl)ethanone (CAS 42899-30-9) is a chemical compound with molecular formula C12H19NO and molecular weight 193.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3,4,5,6,7,8,9-octahydrocyclohepta[b]pyridin-1-yl)ethanone
Also Known As: 1-(2,3,4,5,6,7,8,9-octahydrocyclohepta[b]pyridin-1-yl)ethanone, 1-acetyl-2,3,4,5,6,7,8,9-octahydro-1H-cyclohepta[b]pyridine, 1-(2,3,4,5,6,7,8,9-Octahydro-1H-cyclohepta[b]pyridin-1-yl)ethan-1-one
| Molecular Formula | C12H19NO |
|---|---|
| Molecular Weight | 193.15 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 193.14667 |
| Heavy Atoms | 14 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 42899-30-9 |
|---|---|
| SMILES | CC(=O)N1CCCC2=C1CCCCC2 |
| InChIKey | PHRQQDYCTGCPLC-UHFFFAOYSA-N |
Product Overview
1-(2,3,4,5,6,7,8,9-Octahydrocyclohepta[b]pyridin-1-yl)ethanone (CAS 42899-30-9), with molecular formula C12H19NO and molecular weight 193.15 g/mol. IUPAC: 1-(2,3,4,5,6,7,8,9-octahydrocyclohepta[b]pyridin-1-yl)ethanone.
Chemical Property Profile of 1-(2,3,4,5,6,7,8,9-Octahydrocyclohepta[b]pyridin-1-yl)ethanone
Property Insights of 1-(2,3,4,5,6,7,8,9-Octahydrocyclohepta[b]pyridin-1-yl)ethanone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,3,4,5,6,7,8,9-Octahydrocyclohepta[b]pyridin-1-yl)ethanone. With a topological polar surface area (TPSA) of 20.3 Ų, 1-(2,3,4,5,6,7,8,9-Octahydrocyclohepta[b]pyridin-1-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,3,4,5,6,7,8,9-Octahydrocyclohepta[b]pyridin-1-yl)ethanone 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 1-(2,3,4,5,6,7,8,9-Octahydrocyclohepta[b]pyridin-1-yl)ethanone?
The CAS number of 1-(2,3,4,5,6,7,8,9-Octahydrocyclohepta[b]pyridin-1-yl)ethanone is 42899-30-9.
What is the molecular formula of 1-(2,3,4,5,6,7,8,9-Octahydrocyclohepta[b]pyridin-1-yl)ethanone?
The molecular formula of 1-(2,3,4,5,6,7,8,9-Octahydrocyclohepta[b]pyridin-1-yl)ethanone is C12H19NO.
What is the molecular weight of 1-(2,3,4,5,6,7,8,9-Octahydrocyclohepta[b]pyridin-1-yl)ethanone?
The molecular weight of 1-(2,3,4,5,6,7,8,9-Octahydrocyclohepta[b]pyridin-1-yl)ethanone is 193.15 g/mol.
Where can I buy 1-(2,3,4,5,6,7,8,9-Octahydrocyclohepta[b]pyridin-1-yl)ethanone?
You can request a quote for 1-(2,3,4,5,6,7,8,9-Octahydrocyclohepta[b]pyridin-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,3,4,5,6,7,8,9-Octahydrocyclohepta[b]pyridin-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,3,4,5,6,7,8,9-Octahydrocyclohepta[b]pyridin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.