Pentaacetyl geniposide
TL;DR: Pentaacetyl geniposide (CAS 54483-84-0) is a chemical compound with molecular formula C27H34O15 and molecular weight 598.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,4aS,7aS)-7-(acetyloxymethyl)-1-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
Also Known As: Pentaacetyl geniposide, genipin glycoside, (Ac)5-geniposide, Acetylgeniposide, Geniposide pentaacetate
| Molecular Formula | C27H34O15 |
|---|---|
| Molecular Weight | 598.19 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 16 |
| Exact Mass | 598.18976 |
| Heavy Atoms | 42 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 54483-84-0 |
|---|---|
| SMILES | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H]3[C@H](CC=C3COC(=O)C)C(=CO2)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | LKXMXUPYWQQHNY-JPGAYEHLSA-N |
Product Overview
Pentaacetyl geniposide (CAS 54483-84-0), with molecular formula C27H34O15 and molecular weight 598.19 g/mol. IUPAC: methyl (1S,4aS,7aS)-7-(acetyloxymethyl)-1-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate.
Chemical Property Profile of Pentaacetyl geniposide
Property Insights of Pentaacetyl geniposide
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentaacetyl geniposide. The TPSA of 185.0 Ų indicates high polarity, suggesting Pentaacetyl geniposide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pentaacetyl geniposide has 0 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentaacetyl geniposide?
The CAS number of Pentaacetyl geniposide is 54483-84-0.
What is the molecular formula of Pentaacetyl geniposide?
The molecular formula of Pentaacetyl geniposide is C27H34O15.
What is the molecular weight of Pentaacetyl geniposide?
The molecular weight of Pentaacetyl geniposide is 598.19 g/mol.
Where can I buy Pentaacetyl geniposide?
You can request a quote for Pentaacetyl geniposide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentaacetyl geniposide?
Yes, KEHONG BIO provides custom synthesis services for Pentaacetyl geniposide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.