Sigmoidin B
TL;DR: Sigmoidin B (CAS 87746-47-2) is a chemical compound with molecular formula C20H20O6 and molecular weight 356.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
Also Known As: Sigmoidin B, Sigmoidin-B, sigmoidinB, 5,7,3',4'-tetrahydroxy-5'-prenylflavone, (2S)-2-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
| Molecular Formula | C20H20O6 |
|---|---|
| Molecular Weight | 356.13 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.12598 |
| Heavy Atoms | 26 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 87746-47-2 |
|---|---|
| SMILES | CC(=CCC1=C(C(=CC(=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)O)O)C |
| InChIKey | SFQIGPZCFNTPOD-KRWDZBQOSA-N |
Product Overview
Sigmoidin B (CAS 87746-47-2), with molecular formula C20H20O6 and molecular weight 356.13 g/mol. IUPAC: (2S)-2-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one.
Chemical Property Profile of Sigmoidin B
Property Insights of Sigmoidin B
The XLogP value of 4.0 indicates that Sigmoidin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sigmoidin B. Following Lipinski's Rule of Five, Sigmoidin B has 4 hydrogen bond donor(s) and 6 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 Sigmoidin B?
The CAS number of Sigmoidin B is 87746-47-2.
What is the molecular formula of Sigmoidin B?
The molecular formula of Sigmoidin B is C20H20O6.
What is the molecular weight of Sigmoidin B?
The molecular weight of Sigmoidin B is 356.13 g/mol.
Where can I buy Sigmoidin B?
You can request a quote for Sigmoidin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sigmoidin B?
Yes, KEHONG BIO provides custom synthesis services for Sigmoidin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.