Rothindin
TL;DR: Rothindin (CAS 63347-43-3) is a chemical compound with molecular formula C22H20O10 and molecular weight 444.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Also Known As: Rothindin, 7-beta-D-Glucosyloxy-psi-baptigenine, PSEUDOBAPTIGENIN-7-GLUCOSIDE, J1.621.563E, 3-(1,3-benzodioxol-5-yl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
| Molecular Formula | C22H20O10 |
|---|---|
| Molecular Weight | 444.11 g/mol |
| LogP | 0.3674 |
| Topological Polar Surface Area | 148.05 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.10565 |
| Heavy Atoms | 32 |
| Complexity | 1203.0261 |
Chemical Identifiers
| CAS Number | 63347-43-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=COC4=C(C3=O)C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O |
Product Overview
Rothindin (CAS 63347-43-3), with molecular formula C22H20O10 and molecular weight 444.11 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one.
Chemical Property Profile of Rothindin
Property Insights of Rothindin
The XLogP value of 0.3674 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rothindin. The TPSA of 148.05 Ų indicates high polarity, suggesting Rothindin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Rothindin has 4 hydrogen bond donor(s) and 10 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 Rothindin?
The CAS number of Rothindin is 63347-43-3.
What is the molecular formula of Rothindin?
The molecular formula of Rothindin is C22H20O10.
What is the molecular weight of Rothindin?
The molecular weight of Rothindin is 444.11 g/mol.
Where can I buy Rothindin?
You can request a quote for Rothindin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rothindin?
Yes, KEHONG BIO provides custom synthesis services for Rothindin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.