Septentriodine
TL;DR: Septentriodine (CAS 69787-05-9) is a chemical compound with molecular formula C37H52N2O11 and molecular weight 700.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4S,6S,8R,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-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: Septentriodine, Cashmiradelphine, Aconitane-7,8-diol, 20-ethyl-1,6,14,16-tetramethoxy-4-(((2-((4-methoxy-1,4-dioxobutyl)amino)benzoyl)oxy)methyl)-, (1alpha,6beta,14alpha,16beta)-
| Molecular Formula | C37H52N2O11 |
|---|---|
| Molecular Weight | 700.36 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 14 |
| Exact Mass | 700.3571 |
| Heavy Atoms | 50 |
| Complexity | 1330.0 |
Chemical Identifiers
| CAS Number | 69787-05-9 |
|---|---|
| SMILES | CCN1C[C@@]2(CC[C@@H](C34[C@@H]2[C@@H](C(C31)([C@]5(C[C@@H](C6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7NC(=O)CCC(=O)OC |
| InChIKey | SVMCGAKQNRLCHV-GXEOGJEDSA-N |
Product Overview
Septentriodine (CAS 69787-05-9), with molecular formula C37H52N2O11 and molecular weight 700.36 g/mol. IUPAC: [(2R,3R,4S,6S,8R,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-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 Septentriodine
Property Insights of Septentriodine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Septentriodine. The TPSA of 162.0 Ų indicates high polarity, suggesting Septentriodine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Septentriodine has 3 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 Septentriodine?
The CAS number of Septentriodine is 69787-05-9.
What is the molecular formula of Septentriodine?
The molecular formula of Septentriodine is C37H52N2O11.
What is the molecular weight of Septentriodine?
The molecular weight of Septentriodine is 700.36 g/mol.
Where can I buy Septentriodine?
You can request a quote for Septentriodine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Septentriodine?
Yes, KEHONG BIO provides custom synthesis services for Septentriodine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.