4,5'-Dimethyl-4'-acetoxymethylangelicin
TL;DR: 4,5'-Dimethyl-4'-acetoxymethylangelicin (CAS 78560-65-3) is a chemical compound with molecular formula C16H14O5 and molecular weight 286.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)methyl acetate
Also Known As: 4,5'-Dimethyl-4'-acetoxymethylangelicin, J2.334.675C, 2H-Furo(2,3-h)-1-benzopyran-2-one, 4,8-dimethyl-7-(hydroxymethyl)-, acetate (ester), 4,8-Dimethyl-7-(hydroxymethyl)-2H-furo(2,3-h)-1-benzopyran-2-one acetate (ester), (4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)methyl acetate
| Molecular Formula | C16H14O5 |
|---|---|
| Molecular Weight | 286.08 g/mol |
| LogP | 3.21914 |
| Topological Polar Surface Area | 69.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.08414 |
| Heavy Atoms | 21 |
| Complexity | 913.69324 |
Chemical Identifiers
| CAS Number | 78560-65-3 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC3=C2C(=C(O3)C)COC(=O)C |
Product Overview
4,5'-Dimethyl-4'-acetoxymethylangelicin (CAS 78560-65-3), with molecular formula C16H14O5 and molecular weight 286.08 g/mol. IUPAC: (4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)methyl acetate.
Chemical Property Profile of 4,5'-Dimethyl-4'-acetoxymethylangelicin
Property Insights of 4,5'-Dimethyl-4'-acetoxymethylangelicin
The XLogP value of 3.21914 indicates that 4,5'-Dimethyl-4'-acetoxymethylangelicin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5'-Dimethyl-4'-acetoxymethylangelicin. Following Lipinski's Rule of Five, 4,5'-Dimethyl-4'-acetoxymethylangelicin has 0 hydrogen bond donor(s) and 5 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 4,5'-Dimethyl-4'-acetoxymethylangelicin?
The CAS number of 4,5'-Dimethyl-4'-acetoxymethylangelicin is 78560-65-3.
What is the molecular formula of 4,5'-Dimethyl-4'-acetoxymethylangelicin?
The molecular formula of 4,5'-Dimethyl-4'-acetoxymethylangelicin is C16H14O5.
What is the molecular weight of 4,5'-Dimethyl-4'-acetoxymethylangelicin?
The molecular weight of 4,5'-Dimethyl-4'-acetoxymethylangelicin is 286.08 g/mol.
Where can I buy 4,5'-Dimethyl-4'-acetoxymethylangelicin?
You can request a quote for 4,5'-Dimethyl-4'-acetoxymethylangelicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5'-Dimethyl-4'-acetoxymethylangelicin?
Yes, KEHONG BIO provides custom synthesis services for 4,5'-Dimethyl-4'-acetoxymethylangelicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.