Humantenine
TL;DR: Humantenine (CAS 82375-29-9) is a chemical compound with molecular formula C21H26N2O3 and molecular weight 354.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,4S,7Z,8S,9S)-7-ethylidene-1'-methoxy-5-methylspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
Also Known As: Humantenine, 4CN-0025, (3S,3'Z,4'S,4a'S,7'S,9a'S)-3'-ethylidene-1-methoxy-1'-methyl-1',2',3',4',4a',5',9',9a'-octahydro-7'H-spiro[indole-3,8'-[4,7]methanooxepino[4,3-b]pyridin]-2(1H)-one
| Molecular Formula | C21H26N2O3 |
|---|---|
| Molecular Weight | 354.19 g/mol |
| LogP | 2.5177 |
| Topological Polar Surface Area | 42.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 354.19434 |
| Heavy Atoms | 26 |
| Complexity | 791.2158 |
Chemical Identifiers
| CAS Number | 82375-29-9 |
|---|---|
| SMILES | C/C=C/1\CN([C@H]2C[C@@]3([C@@H]4C[C@H]1[C@@H]2CO4)C5=CC=CC=C5N(C3=O)OC)C |
Product Overview
Humantenine (CAS 82375-29-9), with molecular formula C21H26N2O3 and molecular weight 354.19 g/mol. IUPAC: (1S,2S,4S,7Z,8S,9S)-7-ethylidene-1'-methoxy-5-methylspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one.
Chemical Property Profile of Humantenine
Property Insights of Humantenine
The XLogP value of 2.5177 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Humantenine. With a topological polar surface area (TPSA) of 42.01 Ų, Humantenine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Humantenine 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 Humantenine?
The CAS number of Humantenine is 82375-29-9.
What is the molecular formula of Humantenine?
The molecular formula of Humantenine is C21H26N2O3.
What is the molecular weight of Humantenine?
The molecular weight of Humantenine is 354.19 g/mol.
Where can I buy Humantenine?
You can request a quote for Humantenine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Humantenine?
Yes, KEHONG BIO provides custom synthesis services for Humantenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.