Secologanin
TL;DR: Secologanin (CAS 19436-29-4) is a chemical compound with molecular formula C17H24O10 and molecular weight 388.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-ethenyl-4-(2-oxoethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
Also Known As: Secologanin, Compound NP-015681, Hexose + C11H12O4, NCI60_013498, Methyl 2-(hexopyranosyloxy)-4-(2-oxoethyl)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate
| Molecular Formula | C17H24O10 |
|---|---|
| Molecular Weight | 388.14 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 388.13693 |
| Heavy Atoms | 27 |
| Complexity | 576.0 |
Chemical Identifiers
| CAS Number | 19436-29-4 |
|---|---|
| SMILES | COC(=O)C1=COC(C(C1CC=O)C=C)OC2C(C(C(C(O2)CO)O)O)O |
| InChIKey | CSKKDSFETGLMSB-UHFFFAOYSA-N |
Product Overview
Secologanin (CAS 19436-29-4), with molecular formula C17H24O10 and molecular weight 388.14 g/mol. IUPAC: methyl 3-ethenyl-4-(2-oxoethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate.
Chemical Property Profile of Secologanin
Property Insights of Secologanin
The XLogP value of -1.6 indicates that Secologanin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 152.0 Ų indicates high polarity, suggesting Secologanin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Secologanin has 4 hydrogen bond donor(s) and 10 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 Secologanin?
The CAS number of Secologanin is 19436-29-4.
What is the molecular formula of Secologanin?
The molecular formula of Secologanin is C17H24O10.
What is the molecular weight of Secologanin?
The molecular weight of Secologanin is 388.14 g/mol.
Where can I buy Secologanin?
You can request a quote for Secologanin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Secologanin?
Yes, KEHONG BIO provides custom synthesis services for Secologanin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.