Platycodigenin,methyl ester
TL;DR: Platycodigenin,methyl ester (CAS 38308-47-3) is a chemical compound with molecular formula C37H60O12 and molecular weight 696.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4aR,5R,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Also Known As: PLATYCODIGENIN,METHYL ESTER, Methyl 3beta-(hexopyranosyloxy)-2beta,16alpha,23,24-tetrahydroxyolean-12-en-28-oate, methyl (4aR,5R,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
| Molecular Formula | C37H60O12 |
|---|---|
| Molecular Weight | 696.41 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 207.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 696.40845 |
| Heavy Atoms | 49 |
| Complexity | 1300.0 |
Chemical Identifiers
| CAS Number | 38308-47-3 |
|---|---|
| SMILES | C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(C[C@H]([C@@]5([C@H]4CC(CC5)(C)C)C(=O)OC)O)C)(C[C@@H]([C@@H](C3(CO)CO)OC6C(C(C(C(O6)CO)O)O)O)O)C |
| InChIKey | MUVOHCCQVMWBML-VXIFPYLMSA-N |
Product Overview
Platycodigenin,methyl ester (CAS 38308-47-3), with molecular formula C37H60O12 and molecular weight 696.41 g/mol. IUPAC: methyl (4aR,5R,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate.
Chemical Property Profile of Platycodigenin,methyl ester
Property Insights of Platycodigenin,methyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Platycodigenin,methyl ester. The TPSA of 207.0 Ų indicates high polarity, suggesting Platycodigenin,methyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Platycodigenin,methyl ester 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 Platycodigenin,methyl ester?
The CAS number of Platycodigenin,methyl ester is 38308-47-3.
What is the molecular formula of Platycodigenin,methyl ester?
The molecular formula of Platycodigenin,methyl ester is C37H60O12.
What is the molecular weight of Platycodigenin,methyl ester?
The molecular weight of Platycodigenin,methyl ester is 696.41 g/mol.
Where can I buy Platycodigenin,methyl ester?
You can request a quote for Platycodigenin,methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Platycodigenin,methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Platycodigenin,methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.