10-Hydroxyheyneanine
TL;DR: 10-Hydroxyheyneanine (CAS 77795-14-3) is a chemical compound with molecular formula C21H26N2O4 and molecular weight 370.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,15R,17R,18S)-7-hydroxy-17-[(1S)-1-hydroxyethyl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
Also Known As: 10-Hydroxyheyneanine, Ibogamine-18-carboxylic acid, 12,20-dihydroxy-, methyl ester, (4alpha,20S)-, Methyl (6xi,20S)-12,20-dihydroxy-4alpha-ibogamine-18-carboxylate, methyl (1S,15R,17R,18S)-7-hydroxy-17-((1S)-1-hydroxyethyl)-3,13-diazapentacyclo(13.3.1.02,10.04,9.013,18)nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate, methyl (1S,15R,17R,18S)-7-hydroxy-17-[(1S)-1-hydroxyethyl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
| Molecular Formula | C21H26N2O4 |
|---|---|
| Molecular Weight | 370.19 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 85.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 370.18927 |
| Heavy Atoms | 27 |
| Complexity | 615.0 |
Chemical Identifiers
| CAS Number | 77795-14-3 |
|---|---|
| SMILES | C[C@@H]([C@@H]1C[C@@H]2C[C@@]3([C@H]1N(C2)CCC4=C3NC5=C4C=C(C=C5)O)C(=O)OC)O |
| InChIKey | IEUHGCGGKJVFFN-PXIICCPISA-N |
Product Overview
10-Hydroxyheyneanine (CAS 77795-14-3), with molecular formula C21H26N2O4 and molecular weight 370.19 g/mol. IUPAC: methyl (1S,15R,17R,18S)-7-hydroxy-17-[(1S)-1-hydroxyethyl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate.
Chemical Property Profile of 10-Hydroxyheyneanine
Property Insights of 10-Hydroxyheyneanine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 10-Hydroxyheyneanine. The TPSA of 85.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 10-Hydroxyheyneanine. Following Lipinski's Rule of Five, 10-Hydroxyheyneanine has 3 hydrogen bond donor(s) and 5 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 10-Hydroxyheyneanine?
The CAS number of 10-Hydroxyheyneanine is 77795-14-3.
What is the molecular formula of 10-Hydroxyheyneanine?
The molecular formula of 10-Hydroxyheyneanine is C21H26N2O4.
What is the molecular weight of 10-Hydroxyheyneanine?
The molecular weight of 10-Hydroxyheyneanine is 370.19 g/mol.
Where can I buy 10-Hydroxyheyneanine?
You can request a quote for 10-Hydroxyheyneanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-Hydroxyheyneanine?
Yes, KEHONG BIO provides custom synthesis services for 10-Hydroxyheyneanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.