Isoteinemine
TL;DR: Isoteinemine (CAS 65027-00-1) is a chemical compound with molecular formula C27H45NO2 and molecular weight 415.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,10R,13S,14S,16R,17R)-10,13-dimethyl-17-[(1S)-1-[(2R,5S)-5-methylpiperidin-2-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
Also Known As: Isoteinemine, Capsimine, 16,28-Secosolanid-5-ene-3,16-diol, (3beta,16alpha)-, (8S,9S,10R,13S,14S,16R,17R)-10,13-dimethyl-17-[(1S)-1-[(2R,5S)-5-methylpiperidin-2-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
| Molecular Formula | C27H45NO2 |
|---|---|
| Molecular Weight | 415.35 g/mol |
| LogP | 4.9213 |
| Topological Polar Surface Area | 52.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 415.34503 |
| Heavy Atoms | 30 |
| Complexity | 682.3505 |
Chemical Identifiers
| CAS Number | 65027-00-1 |
|---|---|
| SMILES | C[C@H]1CC[C@@H](NC1)[C@@H](C)[C@H]2[C@@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CCC(C5)O)C)C)O |
Product Overview
Isoteinemine (CAS 65027-00-1), with molecular formula C27H45NO2 and molecular weight 415.35 g/mol. IUPAC: (8S,9S,10R,13S,14S,16R,17R)-10,13-dimethyl-17-[(1S)-1-[(2R,5S)-5-methylpiperidin-2-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol.
Chemical Property Profile of Isoteinemine
Property Insights of Isoteinemine
The XLogP value of 4.9213 indicates that Isoteinemine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.49 Ų, Isoteinemine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoteinemine has 3 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 Isoteinemine?
The CAS number of Isoteinemine is 65027-00-1.
What is the molecular formula of Isoteinemine?
The molecular formula of Isoteinemine is C27H45NO2.
What is the molecular weight of Isoteinemine?
The molecular weight of Isoteinemine is 415.35 g/mol.
Where can I buy Isoteinemine?
You can request a quote for Isoteinemine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoteinemine?
Yes, KEHONG BIO provides custom synthesis services for Isoteinemine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.