Malagashanine
TL;DR: Malagashanine (CAS 139682-33-0) is a chemical compound with molecular formula C23H30N2O4 and molecular weight 398.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,5R,7R,8R,9R,12R,13S)-14-acetyl-4,9-dimethyl-10-oxa-4,14-diazapentacyclo[11.7.0.01,5.07,12.015,20]icosa-15,17,19-triene-8-carboxylate
Also Known As: Malagashanine, ( )-Malagashanine, (+)-Malagashanine, Pyrano(3,4-a)pyrrolo(2,3-d)carbazole-9-carboxylic acid, 13-acetyl-5,6,7,7a,8,8a,9,10,12,12a,12b,13-dodecahydro-7,10-dimethyl-, methyl ester, (4bR,7aR,8aR,9R,10R,12aR,12bS)-, methyl (1R,5R,7R,8R,9R,12R,13S)-14-acetyl-4,9-dimethyl-10-oxa-4,14-diazapentacyclo(11.7.0.01,5.07,12.015,20)icosa-15,17,19-triene-8-carboxylate
| Molecular Formula | C23H30N2O4 |
|---|---|
| Molecular Weight | 398.22 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 398.22055 |
| Heavy Atoms | 29 |
| Complexity | 698.0 |
Chemical Identifiers
| CAS Number | 139682-33-0 |
|---|---|
| SMILES | C[C@@H]1[C@@H]([C@@H]2C[C@@H]3[C@]4(CCN3C)[C@H]([C@@H]2CO1)N(C5=CC=CC=C45)C(=O)C)C(=O)OC |
| InChIKey | MUNURTJJRWIXFH-IXBAYOQISA-N |
Product Overview
Malagashanine (CAS 139682-33-0), with molecular formula C23H30N2O4 and molecular weight 398.22 g/mol. IUPAC: methyl (1R,5R,7R,8R,9R,12R,13S)-14-acetyl-4,9-dimethyl-10-oxa-4,14-diazapentacyclo[11.7.0.01,5.07,12.015,20]icosa-15,17,19-triene-8-carboxylate.
Chemical Property Profile of Malagashanine
Property Insights of Malagashanine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Malagashanine. With a topological polar surface area (TPSA) of 59.1 Ų, Malagashanine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Malagashanine has 0 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 Malagashanine?
The CAS number of Malagashanine is 139682-33-0.
What is the molecular formula of Malagashanine?
The molecular formula of Malagashanine is C23H30N2O4.
What is the molecular weight of Malagashanine?
The molecular weight of Malagashanine is 398.22 g/mol.
Where can I buy Malagashanine?
You can request a quote for Malagashanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malagashanine?
Yes, KEHONG BIO provides custom synthesis services for Malagashanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.