Bergenin monohydrate, 98
TL;DR: Bergenin monohydrate, 98 (CAS 5956-63-8) is a chemical compound with molecular formula C14H18O10 and molecular weight 346.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one;hydrate
Also Known As: bergenin, Bergenin hydrate, Bergenin monohydrate, Bengenin, Cuscutin
| Molecular Formula | C14H18O10 |
|---|---|
| Molecular Weight | 346.09 g/mol |
| LogP | -2.0253 |
| Topological Polar Surface Area | 177.41 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 346.09 |
| Heavy Atoms | 24 |
| Complexity | 644.9326 |
Chemical Identifiers
| CAS Number | 5956-63-8 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1O)C3C(C(C(C(O3)CO)O)O)OC2=O)O.O |
Product Overview
Bergenin monohydrate, 98 (CAS 5956-63-8), with molecular formula C14H18O10 and molecular weight 346.09 g/mol. IUPAC: 3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one;hydrate.
Chemical Property Profile of Bergenin monohydrate, 98
Property Insights of Bergenin monohydrate, 98
The XLogP value of -2.0253 indicates that Bergenin monohydrate, 98 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 177.41 Ų indicates high polarity, suggesting Bergenin monohydrate, 98 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bergenin monohydrate, 98 has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bergenin monohydrate, 98?
The CAS number of Bergenin monohydrate, 98 is 5956-63-8.
What is the molecular formula of Bergenin monohydrate, 98?
The molecular formula of Bergenin monohydrate, 98 is C14H18O10.
What is the molecular weight of Bergenin monohydrate, 98?
The molecular weight of Bergenin monohydrate, 98 is 346.09 g/mol.
Where can I buy Bergenin monohydrate, 98?
You can request a quote for Bergenin monohydrate, 98 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bergenin monohydrate, 98?
Yes, KEHONG BIO provides custom synthesis services for Bergenin monohydrate, 98 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.