异甘草酸
TL;DR: 异甘草酸 (CAS 83896-44-0) is a chemical compound with molecular formula C42H62O16 and molecular weight 822.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异甘草酸
(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aS,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: alpha-Glycyrrhizin, glyzyrrhizin, 18alpha-Glycyrrhizin, Isoglycyrrhizinic acid, 18-alpha-Glycyrrhizin
| Molecular Formula | C42H62O16 |
|---|---|
| Molecular Weight | 822.40 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 267.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 7 |
| Exact Mass | 822.4038 |
| Heavy Atoms | 58 |
| Complexity | 1730.0 |
Chemical Identifiers
| CAS Number | 83896-44-0 |
|---|---|
| SMILES | C[C@]12CC[C@](C[C@@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O |
| InChIKey | LPLVUJXQOOQHMX-IOHDZAKGSA-N |
Product Overview
异甘草酸 (CAS 83896-44-0), with molecular formula C42H62O16 and molecular weight 822.40 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aS,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of 异甘草酸
Property Insights of 异甘草酸
The XLogP value of 3.7 indicates that 异甘草酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 267.0 Ų indicates high polarity, suggesting 异甘草酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 异甘草酸 has 8 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 异甘草酸?
The CAS number of 异甘草酸 is 83896-44-0.
What is the molecular formula of 异甘草酸?
The molecular formula of 异甘草酸 is C42H62O16.
What is the molecular weight of 异甘草酸?
The molecular weight of 异甘草酸 is 822.40 g/mol.
Where can I buy 异甘草酸?
You can request a quote for 异甘草酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异甘草酸?
Yes, KEHONG BIO provides custom synthesis services for 异甘草酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.