Angelicain
TL;DR: Angelicain (CAS 49624-66-0) is a chemical compound with molecular formula C15H16O6 and molecular weight 292.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[2,3-g]isochromen-5-one
Also Known As: Angelicain, 4CN-1801, DL-3-Amino-3-(4-chlorophenyl)propionic acid, 4-hydroxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[2,3-g]isochromen-5-one, 4-Hydroxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-5H-furo[2,3-g][2]benzopyran-5-one
| Molecular Formula | C15H16O6 |
|---|---|
| Molecular Weight | 292.09 g/mol |
| LogP | 1.0653 |
| Topological Polar Surface Area | 100.13 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.0947 |
| Heavy Atoms | 21 |
| Complexity | 768.2982 |
Chemical Identifiers
| CAS Number | 49624-66-0 |
|---|---|
| SMILES | CC(C)(C1CC2=C(O1)C=C3C=C(OC(=O)C3=C2O)CO)O |
Product Overview
Angelicain (CAS 49624-66-0), with molecular formula C15H16O6 and molecular weight 292.09 g/mol. IUPAC: 4-hydroxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[2,3-g]isochromen-5-one.
Chemical Property Profile of Angelicain
Property Insights of Angelicain
The XLogP value of 1.0653 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Angelicain. The TPSA of 100.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Angelicain. Following Lipinski's Rule of Five, Angelicain 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 Angelicain?
The CAS number of Angelicain is 49624-66-0.
What is the molecular formula of Angelicain?
The molecular formula of Angelicain is C15H16O6.
What is the molecular weight of Angelicain?
The molecular weight of Angelicain is 292.09 g/mol.
Where can I buy Angelicain?
You can request a quote for Angelicain directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Angelicain?
Yes, KEHONG BIO provides custom synthesis services for Angelicain and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.