Humantenmine
TL;DR: Humantenmine (CAS 82354-38-9) is a chemical compound with molecular formula C19H22N2O3 and molecular weight 326.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,4S,8S)-6-ethyl-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undec-5-ene-2,3'-indole]-2'-one
Also Known As: Humantenmine, GELSENICINE, 4,20-Dehydrogelsedine, Gelsedine, 4,20-didehydro-, (1R,2S,4S,8S)-6-ethyl-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undec-5-ene-2,3'-indole]-2'-one
| Molecular Formula | C19H22N2O3 |
|---|---|
| Molecular Weight | 326.16 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.16306 |
| Heavy Atoms | 24 |
| Complexity | 591.0 |
Chemical Identifiers
| CAS Number | 82354-38-9 |
|---|---|
| SMILES | CCC1=N[C@H]2C[C@@]3([C@H]4CC1[C@@H]2CO4)C5=CC=CC=C5N(C3=O)OC |
| InChIKey | BIGABVPVCRHEES-BTOOUBFQSA-N |
Product Overview
Humantenmine (CAS 82354-38-9), with molecular formula C19H22N2O3 and molecular weight 326.16 g/mol. IUPAC: (1R,2S,4S,8S)-6-ethyl-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undec-5-ene-2,3'-indole]-2'-one.
Chemical Property Profile of Humantenmine
Property Insights of Humantenmine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Humantenmine. With a topological polar surface area (TPSA) of 51.1 Ų, Humantenmine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Humantenmine has 0 hydrogen bond donor(s) and 4 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 Humantenmine?
The CAS number of Humantenmine is 82354-38-9.
What is the molecular formula of Humantenmine?
The molecular formula of Humantenmine is C19H22N2O3.
What is the molecular weight of Humantenmine?
The molecular weight of Humantenmine is 326.16 g/mol.
Where can I buy Humantenmine?
You can request a quote for Humantenmine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Humantenmine?
Yes, KEHONG BIO provides custom synthesis services for Humantenmine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.