Buddlenol C
TL;DR: Buddlenol C (CAS 97465-73-1) is a chemical compound with molecular formula C32H38O12 and molecular weight 614.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
Also Known As: Buddlenol C, G-b-S-r-S, Chrysoeriol 7-O-Neohesperidoside, guaiacylglycerol beta-syringaresinol ether, G(8-O-4)S(8-8)S
| Molecular Formula | C32H38O12 |
|---|---|
| Molecular Weight | 614.24 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 614.2363 |
| Heavy Atoms | 44 |
| Complexity | 852.0 |
Chemical Identifiers
| CAS Number | 97465-73-1 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)OC(CO)C(C5=CC(=C(C=C5)O)OC)O)OC |
| InChIKey | FITCDKVKQIBVRK-UHFFFAOYSA-N |
Product Overview
Buddlenol C (CAS 97465-73-1), with molecular formula C32H38O12 and molecular weight 614.24 g/mol. IUPAC: 2-[4-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol.
Chemical Property Profile of Buddlenol C
Property Insights of Buddlenol C
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Buddlenol C. The TPSA of 155.0 Ų indicates high polarity, suggesting Buddlenol C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Buddlenol C has 4 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 Buddlenol C?
The CAS number of Buddlenol C is 97465-73-1.
What is the molecular formula of Buddlenol C?
The molecular formula of Buddlenol C is C32H38O12.
What is the molecular weight of Buddlenol C?
The molecular weight of Buddlenol C is 614.24 g/mol.
Where can I buy Buddlenol C?
You can request a quote for Buddlenol C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Buddlenol C?
Yes, KEHONG BIO provides custom synthesis services for Buddlenol C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.