Deoxoglycyrrhetol dihemiphthalate
TL;DR: Deoxoglycyrrhetol dihemiphthalate (CAS 102416-27-3) is a chemical compound with molecular formula C46H58O8 and molecular weight 738.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(2S,4aS,6aR,6aS,6bR,8aR,12aR,14bR)-10-(2-carboxybenzoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-2-yl]methoxycarbonyl]benzoic acid
Also Known As: DGDH, Deoxoglycyrrhetol dihemiphthalate, deoxoglycyrrhetol 3, A,30-dihemiphthalate, 18-Olean-12-ene-3,30-diol dihemiphthalate
| Molecular Formula | C46H58O8 |
|---|---|
| Molecular Weight | 738.41 g/mol |
| LogP | 11.1 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 738.41315 |
| Heavy Atoms | 54 |
| Complexity | 1550.0 |
Chemical Identifiers
| CAS Number | 102416-27-3 |
|---|---|
| SMILES | C[C@]12CC[C@](C[C@H]1C3=CC[C@@H]4[C@]5(CCC(C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C6=CC=CC=C6C(=O)O)C)(C)COC(=O)C7=CC=CC=C7C(=O)O |
| InChIKey | GFCQDXRBTQVNJC-OTGCZYGJSA-N |
Product Overview
Deoxoglycyrrhetol dihemiphthalate (CAS 102416-27-3), with molecular formula C46H58O8 and molecular weight 738.41 g/mol. IUPAC: 2-[[(2S,4aS,6aR,6aS,6bR,8aR,12aR,14bR)-10-(2-carboxybenzoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-2-yl]methoxycarbonyl]benzoic acid.
Chemical Property Profile of Deoxoglycyrrhetol dihemiphthalate
Property Insights of Deoxoglycyrrhetol dihemiphthalate
The XLogP value of 11.1 indicates that Deoxoglycyrrhetol dihemiphthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Deoxoglycyrrhetol dihemiphthalate. Following Lipinski's Rule of Five, Deoxoglycyrrhetol dihemiphthalate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Deoxoglycyrrhetol dihemiphthalate?
The CAS number of Deoxoglycyrrhetol dihemiphthalate is 102416-27-3.
What is the molecular formula of Deoxoglycyrrhetol dihemiphthalate?
The molecular formula of Deoxoglycyrrhetol dihemiphthalate is C46H58O8.
What is the molecular weight of Deoxoglycyrrhetol dihemiphthalate?
The molecular weight of Deoxoglycyrrhetol dihemiphthalate is 738.41 g/mol.
Where can I buy Deoxoglycyrrhetol dihemiphthalate?
You can request a quote for Deoxoglycyrrhetol dihemiphthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deoxoglycyrrhetol dihemiphthalate?
Yes, KEHONG BIO provides custom synthesis services for Deoxoglycyrrhetol dihemiphthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.