3-Oxo-11-methoxytabersonine
TL;DR: 3-Oxo-11-methoxytabersonine (CAS 102719-84-6) is a chemical compound with molecular formula C22H24N2O4 and molecular weight 380.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (12R,19S)-12-ethyl-5-methoxy-15-oxo-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9,13-pentaene-10-carboxylate
Also Known As: 3-Oxo-11-methoxytabersonine, 3-oxo-11-methoxy-tabersonine, Self-incompatibility glycoprotein, nicotiana, Aspidospermidine-3-carboxylic acid, 2,3,6,7-tetradehydro-16-methoxy-8-oxo-, methyl ester, (5alpha,12beta,19alpha)-, Methyl (12R,19S)-12-ethyl-5-methoxy-15-oxo-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9,13-pentaene-10-carboxylate
| Molecular Formula | C22H24N2O4 |
|---|---|
| Molecular Weight | 380.17 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.1736 |
| Heavy Atoms | 28 |
| Complexity | 789.0 |
Chemical Identifiers
| CAS Number | 102719-84-6 |
|---|---|
| SMILES | CC[C@]12CC(=C3C4([C@H]1N(CC4)C(=O)C=C2)C5=C(N3)C=C(C=C5)OC)C(=O)OC |
| InChIKey | ULVYAIAFWAUMLF-LGTSYYJHSA-N |
Product Overview
3-Oxo-11-methoxytabersonine (CAS 102719-84-6), with molecular formula C22H24N2O4 and molecular weight 380.17 g/mol. IUPAC: methyl (12R,19S)-12-ethyl-5-methoxy-15-oxo-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9,13-pentaene-10-carboxylate.
Chemical Property Profile of 3-Oxo-11-methoxytabersonine
Property Insights of 3-Oxo-11-methoxytabersonine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxo-11-methoxytabersonine. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Oxo-11-methoxytabersonine. Following Lipinski's Rule of Five, 3-Oxo-11-methoxytabersonine has 1 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 3-Oxo-11-methoxytabersonine?
The CAS number of 3-Oxo-11-methoxytabersonine is 102719-84-6.
What is the molecular formula of 3-Oxo-11-methoxytabersonine?
The molecular formula of 3-Oxo-11-methoxytabersonine is C22H24N2O4.
What is the molecular weight of 3-Oxo-11-methoxytabersonine?
The molecular weight of 3-Oxo-11-methoxytabersonine is 380.17 g/mol.
Where can I buy 3-Oxo-11-methoxytabersonine?
You can request a quote for 3-Oxo-11-methoxytabersonine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxo-11-methoxytabersonine?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-11-methoxytabersonine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.