trans-octahydro-1H-1-pyrindine
TL;DR: trans-octahydro-1H-1-pyrindine (CAS 39494-05-8) is a chemical compound with molecular formula C8H15N and molecular weight 125.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
Also Known As: trans-Octahydro-1H-1-pyrindine, EINECS 254-473-5, (4aR,7aS)-octahydro-1H-cyclopenta[b]pyridine, (4aR,4aalpha,7abeta)-Octahydro-1H-1-pyrindine, (4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
| Molecular Formula | C8H15N |
|---|---|
| Molecular Weight | 125.12 g/mol |
| LogP | 1.5385 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 125.12045 |
| Heavy Atoms | 9 |
| Complexity | 88.74076 |
Chemical Identifiers
| CAS Number | 39494-05-8 |
|---|---|
| SMILES | C1C[C@@H]2CCCN[C@H]2C1 |
Product Overview
trans-octahydro-1H-1-pyrindine (CAS 39494-05-8), with molecular formula C8H15N and molecular weight 125.12 g/mol. IUPAC: (4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine.
Chemical Property Profile of trans-octahydro-1H-1-pyrindine
Property Insights of trans-octahydro-1H-1-pyrindine
The XLogP value of 1.5385 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-octahydro-1H-1-pyrindine. With a topological polar surface area (TPSA) of 12.03 Ų, trans-octahydro-1H-1-pyrindine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-octahydro-1H-1-pyrindine has 1 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 trans-octahydro-1H-1-pyrindine?
The CAS number of trans-octahydro-1H-1-pyrindine is 39494-05-8.
What is the molecular formula of trans-octahydro-1H-1-pyrindine?
The molecular formula of trans-octahydro-1H-1-pyrindine is C8H15N.
What is the molecular weight of trans-octahydro-1H-1-pyrindine?
The molecular weight of trans-octahydro-1H-1-pyrindine is 125.12 g/mol.
Where can I buy trans-octahydro-1H-1-pyrindine?
You can request a quote for trans-octahydro-1H-1-pyrindine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-octahydro-1H-1-pyrindine?
Yes, KEHONG BIO provides custom synthesis services for trans-octahydro-1H-1-pyrindine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.