毒参碱
TL;DR: 毒参碱 (CAS 637-49-0) is a chemical compound with molecular formula C8H17N and molecular weight 127.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
毒参碱
(2S)-2-propylpiperidine
Also Known As: CONIINE, Cicutine, (S)-2-Propylpiperidine, Conicine, (+)-Coniine
| Molecular Formula | C8H17N |
|---|---|
| Molecular Weight | 127.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 127.1361 |
| Heavy Atoms | 9 |
| Complexity | 71.0 |
Chemical Identifiers
| CAS Number | 637-49-0 |
|---|---|
| SMILES | CCC[C@H]1CCCCN1 |
| InChIKey | NDNUANOUGZGEPO-QMMMGPOBSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
毒参碱 (CAS 637-49-0), with molecular formula C8H17N and molecular weight 127.14 g/mol. IUPAC: (2S)-2-propylpiperidine.
Chemical Property Profile of 毒参碱
Property Insights of 毒参碱
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 毒参碱. With a topological polar surface area (TPSA) of 12.0 Ų, 毒参碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 毒参碱 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 毒参碱?
The CAS number of 毒参碱 is 637-49-0.
What is the molecular formula of 毒参碱?
The molecular formula of 毒参碱 is C8H17N.
What is the molecular weight of 毒参碱?
The molecular weight of 毒参碱 is 127.14 g/mol.
Where can I buy 毒参碱?
You can request a quote for 毒参碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 毒参碱?
Yes, KEHONG BIO provides custom synthesis services for 毒参碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.