脱氧番木鳖酸
TL;DR: 脱氧番木鳖酸 (CAS 22487-36-1) is a chemical compound with molecular formula C16H24O9 and molecular weight 360.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
脱氧番木鳖酸
(1S,4aS,7S,7aR)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
Also Known As: 7-Deoxyloganic acid, Deoxyloganic acid, 7-Deoxyloganate, 8-Epideoxyloganic acid, Dideoxydihydromonotropein
| Molecular Formula | C16H24O9 |
|---|---|
| Molecular Weight | 360.14 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.14203 |
| Heavy Atoms | 25 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 22487-36-1 |
|---|---|
| SMILES | C[C@H]1CC[C@H]2[C@@H]1[C@@H](OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| InChIKey | DSXFHNSGLYXPNG-YDYVGBNJSA-N |
Product Overview
脱氧番木鳖酸 (CAS 22487-36-1), with molecular formula C16H24O9 and molecular weight 360.14 g/mol. IUPAC: (1S,4aS,7S,7aR)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid.
Chemical Property Profile of 脱氧番木鳖酸
Property Insights of 脱氧番木鳖酸
The XLogP value of -0.4 indicates that 脱氧番木鳖酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 146.0 Ų indicates high polarity, suggesting 脱氧番木鳖酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 脱氧番木鳖酸 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 脱氧番木鳖酸?
The CAS number of 脱氧番木鳖酸 is 22487-36-1.
What is the molecular formula of 脱氧番木鳖酸?
The molecular formula of 脱氧番木鳖酸 is C16H24O9.
What is the molecular weight of 脱氧番木鳖酸?
The molecular weight of 脱氧番木鳖酸 is 360.14 g/mol.
Where can I buy 脱氧番木鳖酸?
You can request a quote for 脱氧番木鳖酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 脱氧番木鳖酸?
Yes, KEHONG BIO provides custom synthesis services for 脱氧番木鳖酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.