7-O-Cinnamoyltecomoside
TL;DR: 7-O-Cinnamoyltecomoside (CAS 82597-77-1) is a chemical compound with molecular formula C25H30O11 and molecular weight 506.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,4aS,6R,7S,7aS)-4-formyl-4a-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-6-yl] (E)-3-phenylprop-2-enoate
Also Known As: 7-O-Cinnamoyltecomoside, 2-Propenoic acid, 3-phenyl-, 4-formyl-1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a-hydroxy-7-methylcyclopenta(c)pyran-6-yl ester, (1S-(1alpha,4aalpha,6alpha,7alpha,7aalpha))-, [(1S,4aS,6R,7S,7aS)-4-formyl-4a-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-6-yl] (E)-3-phenylprop-2-enoate
| Molecular Formula | C25H30O11 |
|---|---|
| Molecular Weight | 506.18 g/mol |
| LogP | -0.7457 |
| Topological Polar Surface Area | 172.21 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 506.1788 |
| Heavy Atoms | 36 |
| Complexity | 992.97943 |
Chemical Identifiers
| CAS Number | 82597-77-1 |
|---|---|
| SMILES | C[C@@H]1[C@@H](C[C@@]2([C@H]1[C@@H](OC=C2C=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)OC(=O)/C=C/C4=CC=CC=C4 |
Product Overview
7-O-Cinnamoyltecomoside (CAS 82597-77-1), with molecular formula C25H30O11 and molecular weight 506.18 g/mol. IUPAC: [(1S,4aS,6R,7S,7aS)-4-formyl-4a-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-6-yl] (E)-3-phenylprop-2-enoate.
Chemical Property Profile of 7-O-Cinnamoyltecomoside
Property Insights of 7-O-Cinnamoyltecomoside
The XLogP value of -0.7457 indicates that 7-O-Cinnamoyltecomoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 172.21 Ų indicates high polarity, suggesting 7-O-Cinnamoyltecomoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-O-Cinnamoyltecomoside has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-O-Cinnamoyltecomoside?
The CAS number of 7-O-Cinnamoyltecomoside is 82597-77-1.
What is the molecular formula of 7-O-Cinnamoyltecomoside?
The molecular formula of 7-O-Cinnamoyltecomoside is C25H30O11.
What is the molecular weight of 7-O-Cinnamoyltecomoside?
The molecular weight of 7-O-Cinnamoyltecomoside is 506.18 g/mol.
Where can I buy 7-O-Cinnamoyltecomoside?
You can request a quote for 7-O-Cinnamoyltecomoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-O-Cinnamoyltecomoside?
Yes, KEHONG BIO provides custom synthesis services for 7-O-Cinnamoyltecomoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.