蝾螈碱
TL;DR: 蝾螈碱 (CAS 467-51-6) is a chemical compound with molecular formula C19H31NO2 and molecular weight 305.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
蝾螈碱
(1R,2S,3S,6R,8S,10S,11S,14R,16S)-2,6-dimethyl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadecan-8-ol
Also Known As: Samandarine, Samandarin, Samandarone, SAMANDARINE [MI], 4-27-00-01819 (Beilstein Handbook Reference)
| Molecular Formula | C19H31NO2 |
|---|---|
| Molecular Weight | 305.24 g/mol |
| LogP | 2.9243 |
| Topological Polar Surface Area | 41.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 305.23547 |
| Heavy Atoms | 22 |
| Complexity | 482.05563 |
Chemical Identifiers
| CAS Number | 467-51-6 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H](C2)O)CC[C@H]4[C@@]3([C@@H]5CN[C@H](C4)O5)C |
Product Overview
蝾螈碱 (CAS 467-51-6), with molecular formula C19H31NO2 and molecular weight 305.24 g/mol. IUPAC: (1R,2S,3S,6R,8S,10S,11S,14R,16S)-2,6-dimethyl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadecan-8-ol.
Chemical Property Profile of 蝾螈碱
Property Insights of 蝾螈碱
The XLogP value of 2.9243 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 蝾螈碱. With a topological polar surface area (TPSA) of 41.49 Ų, 蝾螈碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 蝾螈碱 has 2 hydrogen bond donor(s) and 3 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 蝾螈碱?
The CAS number of 蝾螈碱 is 467-51-6.
What is the molecular formula of 蝾螈碱?
The molecular formula of 蝾螈碱 is C19H31NO2.
What is the molecular weight of 蝾螈碱?
The molecular weight of 蝾螈碱 is 305.24 g/mol.
Where can I buy 蝾螈碱?
You can request a quote for 蝾螈碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 蝾螈碱?
Yes, KEHONG BIO provides custom synthesis services for 蝾螈碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.