仙茅苷A
TL;DR: 仙茅苷A (CAS 85643-19-2) is a chemical compound with molecular formula C22H26O11 and molecular weight 466.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
仙茅苷A
[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2,6-dimethoxybenzoate
Also Known As: Curculigoside, curculigoside A, curculigosidea, Curculigoside I, Curculigoside 1
| Molecular Formula | C22H26O11 |
|---|---|
| Molecular Weight | 466.15 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 466.14752 |
| Heavy Atoms | 33 |
| Complexity | 607.0 |
Chemical Identifiers
| CAS Number | 85643-19-2 |
|---|---|
| SMILES | COC1=C(C(=CC=C1)OC)C(=O)OCC2=C(C=CC(=C2)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| InChIKey | SJJRKHVKAXVFJQ-QKYBYQKWSA-N |
Product Overview
仙茅苷A (CAS 85643-19-2), with molecular formula C22H26O11 and molecular weight 466.15 g/mol. IUPAC: [5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2,6-dimethoxybenzoate.
Chemical Property Profile of 仙茅苷A
Property Insights of 仙茅苷A
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 仙茅苷A. The TPSA of 164.0 Ų indicates high polarity, suggesting 仙茅苷A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 仙茅苷A 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 仙茅苷A?
The CAS number of 仙茅苷A is 85643-19-2.
What is the molecular formula of 仙茅苷A?
The molecular formula of 仙茅苷A is C22H26O11.
What is the molecular weight of 仙茅苷A?
The molecular weight of 仙茅苷A is 466.15 g/mol.
Where can I buy 仙茅苷A?
You can request a quote for 仙茅苷A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 仙茅苷A?
Yes, KEHONG BIO provides custom synthesis services for 仙茅苷A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.