sigmoidin B 3'-methyl ether
TL;DR: sigmoidin B 3'-methyl ether (CAS 114340-00-0) is a chemical compound with molecular formula C21H22O6 and molecular weight 370.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-5,7-dihydroxy-2-[3-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
Also Known As: SBMET, Sigmoidin B 3'-methyl ether, 4 -O-Methylsigmoidin B, (2S)-5,7-dihydroxy-2-[3-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one, 2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxy-5-methoxy-3-(3-methyl-2-butenyl)phenyl)-4H-1-benzopyran-4-one
| Molecular Formula | C21H22O6 |
|---|---|
| Molecular Weight | 370.14 g/mol |
| LogP | 4.0272 |
| Topological Polar Surface Area | 96.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.14163 |
| Heavy Atoms | 27 |
| Complexity | 924.75446 |
Chemical Identifiers
| CAS Number | 114340-00-0 |
|---|---|
| SMILES | CC(=CCC1=C(C(=CC(=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)O)OC)C |
Product Overview
sigmoidin B 3'-methyl ether (CAS 114340-00-0), with molecular formula C21H22O6 and molecular weight 370.14 g/mol. IUPAC: (2S)-5,7-dihydroxy-2-[3-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one.
Chemical Property Profile of sigmoidin B 3'-methyl ether
Property Insights of sigmoidin B 3'-methyl ether
The XLogP value of 4.0272 indicates that sigmoidin B 3'-methyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.22 Ų falls within the moderate polarity range, balancing permeability and solubility for sigmoidin B 3'-methyl ether. Following Lipinski's Rule of Five, sigmoidin B 3'-methyl ether has 3 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 3'-methyl ether?
The CAS number of sigmoidin B 3'-methyl ether is 114340-00-0.
What is the molecular formula of sigmoidin B 3'-methyl ether?
The molecular formula of sigmoidin B 3'-methyl ether is C21H22O6.
What is the molecular weight of sigmoidin B 3'-methyl ether?
The molecular weight of sigmoidin B 3'-methyl ether is 370.14 g/mol.
Where can I buy sigmoidin B 3'-methyl ether?
You can request a quote for sigmoidin B 3'-methyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for sigmoidin B 3'-methyl ether?
Yes, KEHONG BIO provides custom synthesis services for sigmoidin B 3'-methyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.