Septentrionine
TL;DR: Septentrionine (CAS 70553-63-8) is a chemical compound with molecular formula C38H54N2O11 and molecular weight 714.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,3R,4S,5R,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-9-hydroxy-4,6,8,16,18-pentamethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[(4-methoxy-4-oxobutanoyl)amino]benzoate
Also Known As: Septentrionine, [(1S,2R,3R,4S,5R,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-9-hydroxy-4,6,8,16,18-pentamethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[(4-methoxy-4-oxobutanoyl)amino]benzoate, (2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromenylium-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol, [(17xi)-20-Ethyl-7-hydroxy-1alpha,6beta,8,14alpha,16beta-pentamethoxyaconitan-4-yl]methyl 2-(4-methoxy-4-oxobutanamido)benzoate
| Molecular Formula | C38H54N2O11 |
|---|---|
| Molecular Weight | 714.37 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 714.37274 |
| Heavy Atoms | 51 |
| Complexity | 1350.0 |
Chemical Identifiers
| CAS Number | 70553-63-8 |
|---|---|
| SMILES | CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@](C31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)OC)O)OC)OC)COC(=O)C7=CC=CC=C7NC(=O)CCC(=O)OC |
| InChIKey | PXDSODACKDGKHO-MOEGOFPBSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Septentrionine (CAS 70553-63-8), with molecular formula C38H54N2O11 and molecular weight 714.37 g/mol. IUPAC: [(1S,2R,3R,4S,5R,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-9-hydroxy-4,6,8,16,18-pentamethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[(4-methoxy-4-oxobutanoyl)amino]benzoate.
Chemical Property Profile of Septentrionine
Property Insights of Septentrionine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Septentrionine. The TPSA of 151.0 Ų indicates high polarity, suggesting Septentrionine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Septentrionine has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Septentrionine?
The CAS number of Septentrionine is 70553-63-8.
What is the molecular formula of Septentrionine?
The molecular formula of Septentrionine is C38H54N2O11.
What is the molecular weight of Septentrionine?
The molecular weight of Septentrionine is 714.37 g/mol.
Where can I buy Septentrionine?
You can request a quote for Septentrionine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Septentrionine?
Yes, KEHONG BIO provides custom synthesis services for Septentrionine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.