Paeoniflorin, galloyl-
TL;DR: Paeoniflorin, galloyl- (CAS 122965-41-7) is a chemical compound with molecular formula C30H32O15 and molecular weight 632.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[[2-(benzoyloxymethyl)-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Also Known As: galloylpaeoniflorin, Paeoniflorin, galloyl-, 6'-O-Galloyl paeoniflorin, B0005-477648, [6-[[2-(benzoyloxymethyl)-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
| Molecular Formula | C30H32O15 |
|---|---|
| Molecular Weight | 632.17 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 231.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 10 |
| Exact Mass | 632.17413 |
| Heavy Atoms | 45 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 122965-41-7 |
|---|---|
| SMILES | CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC=CC=C5)OC6C(C(C(C(O6)COC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)O)O |
| InChIKey | KLFIUQCKSSAFFU-UHFFFAOYSA-N |
Product Overview
Paeoniflorin, galloyl- (CAS 122965-41-7), with molecular formula C30H32O15 and molecular weight 632.17 g/mol. IUPAC: [6-[[2-(benzoyloxymethyl)-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate.
Chemical Property Profile of Paeoniflorin, galloyl-
Property Insights of Paeoniflorin, galloyl-
The XLogP value of -0.4 indicates that Paeoniflorin, galloyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 231.0 Ų indicates high polarity, suggesting Paeoniflorin, galloyl- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Paeoniflorin, galloyl- has 7 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 Paeoniflorin, galloyl-?
The CAS number of Paeoniflorin, galloyl- is 122965-41-7.
What is the molecular formula of Paeoniflorin, galloyl-?
The molecular formula of Paeoniflorin, galloyl- is C30H32O15.
What is the molecular weight of Paeoniflorin, galloyl-?
The molecular weight of Paeoniflorin, galloyl- is 632.17 g/mol.
Where can I buy Paeoniflorin, galloyl-?
You can request a quote for Paeoniflorin, galloyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Paeoniflorin, galloyl-?
Yes, KEHONG BIO provides custom synthesis services for Paeoniflorin, galloyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.