![3,4,4A,5,6,7-Hexahydro-2H-cyclopenta[B]pyridine structure](/static/products/4594/4594-79-0.webp)
3,4,4A,5,6,7-Hexahydro-2H-cyclopenta[B]pyridine
TL;DR: 3,4,4A,5,6,7-Hexahydro-2H-cyclopenta[B]pyridine (CAS 4594-79-0) is a chemical compound with molecular formula C8H13N and molecular weight 123.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,4a,5,6,7-hexahydro-2H-cyclopenta[b]pyridine
Also Known As: 5-azabicyclo[4.3.0]non-5-ene, 3,4,4A,5,6,7-HEXAHYDRO-2H-CYCLOPENTA[B]PYRIDINE, 2H-Cyclopenta[b]pyridine, 3,4,4a,5,6,7-hexahydro-
| Molecular Formula | C8H13N |
|---|---|
| Molecular Weight | 123.10 g/mol |
| LogP | 2.0213 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 123.1048 |
| Heavy Atoms | 9 |
| Complexity | 137.50307 |
Chemical Identifiers
| CAS Number | 4594-79-0 |
|---|---|
| SMILES | C1CC2CCCN=C2C1 |
Product Overview
3,4,4A,5,6,7-Hexahydro-2H-cyclopenta[B]pyridine (CAS 4594-79-0), with molecular formula C8H13N and molecular weight 123.10 g/mol. IUPAC: 3,4,4a,5,6,7-hexahydro-2H-cyclopenta[b]pyridine.
Chemical Property Profile of 3,4,4A,5,6,7-Hexahydro-2H-cyclopenta[B]pyridine
Property Insights of 3,4,4A,5,6,7-Hexahydro-2H-cyclopenta[B]pyridine
The XLogP value of 2.0213 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,4A,5,6,7-Hexahydro-2H-cyclopenta[B]pyridine. With a topological polar surface area (TPSA) of 12.36 Ų, 3,4,4A,5,6,7-Hexahydro-2H-cyclopenta[B]pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,4A,5,6,7-Hexahydro-2H-cyclopenta[B]pyridine 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 3,4,4A,5,6,7-Hexahydro-2H-cyclopenta[B]pyridine?
The CAS number of 3,4,4A,5,6,7-Hexahydro-2H-cyclopenta[B]pyridine is 4594-79-0.
What is the molecular formula of 3,4,4A,5,6,7-Hexahydro-2H-cyclopenta[B]pyridine?
The molecular formula of 3,4,4A,5,6,7-Hexahydro-2H-cyclopenta[B]pyridine is C8H13N.
What is the molecular weight of 3,4,4A,5,6,7-Hexahydro-2H-cyclopenta[B]pyridine?
The molecular weight of 3,4,4A,5,6,7-Hexahydro-2H-cyclopenta[B]pyridine is 123.10 g/mol.
Where can I buy 3,4,4A,5,6,7-Hexahydro-2H-cyclopenta[B]pyridine?
You can request a quote for 3,4,4A,5,6,7-Hexahydro-2H-cyclopenta[B]pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,4A,5,6,7-Hexahydro-2H-cyclopenta[B]pyridine?
Yes, KEHONG BIO provides custom synthesis services for 3,4,4A,5,6,7-Hexahydro-2H-cyclopenta[B]pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.