![1-Benzylhexahydro-1H-cyclopenta[b]pyridin-4(4aH)-one structure](/static/products/6904/69042-25-7.webp)
1-Benzylhexahydro-1H-cyclopenta[b]pyridin-4(4aH)-one
TL;DR: 1-Benzylhexahydro-1H-cyclopenta[b]pyridin-4(4aH)-one (CAS 69042-25-7) is a chemical compound with molecular formula C15H19NO and molecular weight 229.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one
Also Known As: 1-Benzyl-octahydro-[1]pyrindin-4-one, 1-Benzylhexahydro-1H-cyclopenta[b]pyridin-4(4aH)-one, 1-Benzyl-octahydro-1pyrindin-4-one, ZERO/005623, 1-benzyloctahydro-4H-cyclopenta[b]pyridin-4-one
| Molecular Formula | C15H19NO |
|---|---|
| Molecular Weight | 229.15 g/mol |
| LogP | 2.6301 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.14667 |
| Heavy Atoms | 17 |
| Complexity | 400.64267 |
Chemical Identifiers
| CAS Number | 69042-25-7 |
|---|---|
| SMILES | C1CC2C(C1)N(CCC2=O)CC3=CC=CC=C3 |
Product Overview
1-Benzylhexahydro-1H-cyclopenta[b]pyridin-4(4aH)-one (CAS 69042-25-7), with molecular formula C15H19NO and molecular weight 229.15 g/mol. IUPAC: 1-benzyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one.
Chemical Property Profile of 1-Benzylhexahydro-1H-cyclopenta[b]pyridin-4(4aH)-one
Property Insights of 1-Benzylhexahydro-1H-cyclopenta[b]pyridin-4(4aH)-one
The XLogP value of 2.6301 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzylhexahydro-1H-cyclopenta[b]pyridin-4(4aH)-one. With a topological polar surface area (TPSA) of 20.31 Ų, 1-Benzylhexahydro-1H-cyclopenta[b]pyridin-4(4aH)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzylhexahydro-1H-cyclopenta[b]pyridin-4(4aH)-one has 0 hydrogen bond donor(s) and 2 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-Benzylhexahydro-1H-cyclopenta[b]pyridin-4(4aH)-one?
The CAS number of 1-Benzylhexahydro-1H-cyclopenta[b]pyridin-4(4aH)-one is 69042-25-7.
What is the molecular formula of 1-Benzylhexahydro-1H-cyclopenta[b]pyridin-4(4aH)-one?
The molecular formula of 1-Benzylhexahydro-1H-cyclopenta[b]pyridin-4(4aH)-one is C15H19NO.
What is the molecular weight of 1-Benzylhexahydro-1H-cyclopenta[b]pyridin-4(4aH)-one?
The molecular weight of 1-Benzylhexahydro-1H-cyclopenta[b]pyridin-4(4aH)-one is 229.15 g/mol.
Where can I buy 1-Benzylhexahydro-1H-cyclopenta[b]pyridin-4(4aH)-one?
You can request a quote for 1-Benzylhexahydro-1H-cyclopenta[b]pyridin-4(4aH)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzylhexahydro-1H-cyclopenta[b]pyridin-4(4aH)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzylhexahydro-1H-cyclopenta[b]pyridin-4(4aH)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.