14-Deoxyandrographoside
TL;DR: 14-Deoxyandrographoside (CAS 86883-55-8) is a chemical compound with molecular formula C26H40O9 and molecular weight 496.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[(4aS,5R,6R,8aS)-6-hydroxy-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
Also Known As: 14-Deoxyandrographoside, KST-1A8643, {(1r,2r,4as,8as)-2-hydroxy-1,4a-dimethyl-6-methylidene-5-[2-(2-oxo-2,5-dihydrofuran-3-yl)ethyl]decahydronaphthalen-1-yl}methyl, A-d-glucopyranoside, {2-Hydroxy-1,4a-dimethyl-6-methylidene-5-[2-(2-oxo-2,5-dihydrofuran-3-yl)ethyl]decahydronaphthalen-1-yl}methyl hexopyranoside
| Molecular Formula | C26H40O9 |
|---|---|
| Molecular Weight | 496.27 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 496.26724 |
| Heavy Atoms | 35 |
| Complexity | 843.0 |
Chemical Identifiers
| CAS Number | 86883-55-8 |
|---|---|
| SMILES | C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)C2CCC3=CCOC3=O)(C)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O |
| InChIKey | MEEPUSVTMHGIPC-LNOCULNESA-N |
Product Overview
14-Deoxyandrographoside (CAS 86883-55-8), with molecular formula C26H40O9 and molecular weight 496.27 g/mol. IUPAC: 4-[2-[(4aS,5R,6R,8aS)-6-hydroxy-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one.
Chemical Property Profile of 14-Deoxyandrographoside
Property Insights of 14-Deoxyandrographoside
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 14-Deoxyandrographoside. The TPSA of 146.0 Ų indicates high polarity, suggesting 14-Deoxyandrographoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 14-Deoxyandrographoside has 5 hydrogen bond donor(s) and 9 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 14-Deoxyandrographoside?
The CAS number of 14-Deoxyandrographoside is 86883-55-8.
What is the molecular formula of 14-Deoxyandrographoside?
The molecular formula of 14-Deoxyandrographoside is C26H40O9.
What is the molecular weight of 14-Deoxyandrographoside?
The molecular weight of 14-Deoxyandrographoside is 496.27 g/mol.
Where can I buy 14-Deoxyandrographoside?
You can request a quote for 14-Deoxyandrographoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 14-Deoxyandrographoside?
Yes, KEHONG BIO provides custom synthesis services for 14-Deoxyandrographoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.