Glycyrrhizin deriv.
TL;DR: Glycyrrhizin deriv. (CAS 134250-17-2) is a chemical compound with molecular formula C42H70O12 and molecular weight 766.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bR)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Glycyrrhizin deriv., Oleanane, .beta.-D-glucopyranoside deriv., 18beta-Olean-12-ene-3beta,30-diol-3-O-beta-D-glucopyranosyl(1-2)beta -D-glucopyranoside, 29-Hydroxyolean-12-en-3-yl 2-O-hexopyranosylhexopyranoside, beta-D-Glucopyranoside, (3b,20b)-29-hydroxyolean-12-en-3-yl 2-O-beta-D-glucopyranosyl-
| Molecular Formula | C42H70O12 |
|---|---|
| Molecular Weight | 766.49 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 199.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 766.48676 |
| Heavy Atoms | 54 |
| Complexity | 1410.0 |
Chemical Identifiers
| CAS Number | 134250-17-2 |
|---|---|
| SMILES | C[C@]12CC[C@](C[C@H]1C3=CC[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)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)(C)CO |
| InChIKey | QLHJFKCTLQQACH-OJMHWDRPSA-N |
Product Overview
Glycyrrhizin deriv. (CAS 134250-17-2), with molecular formula C42H70O12 and molecular weight 766.49 g/mol. IUPAC: (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bR)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Glycyrrhizin deriv.
Property Insights of Glycyrrhizin deriv.
The XLogP value of 4.4 indicates that Glycyrrhizin deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 199.0 Ų indicates high polarity, suggesting Glycyrrhizin deriv. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Glycyrrhizin deriv. has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Glycyrrhizin deriv.?
The CAS number of Glycyrrhizin deriv. is 134250-17-2.
What is the molecular formula of Glycyrrhizin deriv.?
The molecular formula of Glycyrrhizin deriv. is C42H70O12.
What is the molecular weight of Glycyrrhizin deriv.?
The molecular weight of Glycyrrhizin deriv. is 766.49 g/mol.
Where can I buy Glycyrrhizin deriv.?
You can request a quote for Glycyrrhizin deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glycyrrhizin deriv.?
Yes, KEHONG BIO provides custom synthesis services for Glycyrrhizin deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.