Phaseollidin hydrate
TL;DR: Phaseollidin hydrate (CAS 76122-57-1) is a chemical compound with molecular formula C20H22O5 and molecular weight 342.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,11aR)-10-(3-hydroxy-3-methylbutyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
Also Known As: Phaseollidin hydrate, PHASEOLLIDIN-HYDRATE, HY-N3088, (6aR,11aR)-10-(3-hydroxy-3-methylbutyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol, J2.755.064I
| Molecular Formula | C20H22O5 |
|---|---|
| Molecular Weight | 342.15 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.14673 |
| Heavy Atoms | 25 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 76122-57-1 |
|---|---|
| SMILES | CC(C)(CCC1=C(C=CC2=C1O[C@@H]3[C@H]2COC4=C3C=CC(=C4)O)O)O |
| InChIKey | KSSHIKBOZWMDTR-KXBFYZLASA-N |
Product Overview
Phaseollidin hydrate (CAS 76122-57-1), with molecular formula C20H22O5 and molecular weight 342.15 g/mol. IUPAC: (6aR,11aR)-10-(3-hydroxy-3-methylbutyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol.
Chemical Property Profile of Phaseollidin hydrate
Property Insights of Phaseollidin hydrate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phaseollidin hydrate. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Phaseollidin hydrate. Following Lipinski's Rule of Five, Phaseollidin hydrate has 3 hydrogen bond donor(s) and 5 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 Phaseollidin hydrate?
The CAS number of Phaseollidin hydrate is 76122-57-1.
What is the molecular formula of Phaseollidin hydrate?
The molecular formula of Phaseollidin hydrate is C20H22O5.
What is the molecular weight of Phaseollidin hydrate?
The molecular weight of Phaseollidin hydrate is 342.15 g/mol.
Where can I buy Phaseollidin hydrate?
You can request a quote for Phaseollidin hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phaseollidin hydrate?
Yes, KEHONG BIO provides custom synthesis services for Phaseollidin hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.