Sigmoidin A
TL;DR: Sigmoidin A (CAS 87746-48-3) is a chemical compound with molecular formula C25H28O6 and molecular weight 424.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[3,4-dihydroxy-2,5-bis(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
Also Known As: Sigmoidin A, Sigmoidin-A, 3-Methyl-1-oxaspiro[4.5]decan-2-ol, 5,7,3',4'-tetrahydroxy-2',5'-diprenylflavone, (2S)-2-[3,4-dihydroxy-2,5-bis(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
| Molecular Formula | C25H28O6 |
|---|---|
| Molecular Weight | 424.19 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.1886 |
| Heavy Atoms | 31 |
| Complexity | 692.0 |
Chemical Identifiers
| CAS Number | 87746-48-3 |
|---|---|
| SMILES | CC(=CCC1=CC(=C(C(=C1O)O)CC=C(C)C)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)C |
| InChIKey | BVHLNRAYBCPKOY-NRFANRHFSA-N |
Product Overview
Sigmoidin A (CAS 87746-48-3), with molecular formula C25H28O6 and molecular weight 424.19 g/mol. IUPAC: (2S)-2-[3,4-dihydroxy-2,5-bis(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one.
Chemical Property Profile of Sigmoidin A
Property Insights of Sigmoidin A
The XLogP value of 5.9 indicates that Sigmoidin A 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 A. Following Lipinski's Rule of Five, Sigmoidin A has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sigmoidin A?
The CAS number of Sigmoidin A is 87746-48-3.
What is the molecular formula of Sigmoidin A?
The molecular formula of Sigmoidin A is C25H28O6.
What is the molecular weight of Sigmoidin A?
The molecular weight of Sigmoidin A is 424.19 g/mol.
Where can I buy Sigmoidin A?
You can request a quote for Sigmoidin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sigmoidin A?
Yes, KEHONG BIO provides custom synthesis services for Sigmoidin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.