4,6-Dimethylbenzoangelicin
TL;DR: 4,6-Dimethylbenzoangelicin (CAS 118929-49-0) is a chemical compound with molecular formula C17H12O3 and molecular weight 264.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-[1]benzofuro[2,3-h]chromen-2-one
Also Known As: 4,6-Dimethylbenzoangelicin, 4,6-dimethyl-[1]benzofuro[2,3-h]chromen-2-one, 4,6-dimethyl-2h-[1]benzofuro[2,3-h]chromen-2-one, 2H-Benzofuro[2,3-h]-1-benzopyran-2-one,4,6-dimethyl-, 4,6-Dimethyl-2H-[1]benzofuro[2,3-h][1]benzopyran-2-one
| Molecular Formula | C17H12O3 |
|---|---|
| Molecular Weight | 264.08 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 264.07864 |
| Heavy Atoms | 20 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 118929-49-0 |
|---|---|
| SMILES | CC1=CC2=C(C3=C1OC4=CC=CC=C43)OC(=O)C=C2C |
| InChIKey | BUJYHMTZBVJWNT-UHFFFAOYSA-N |
Product Overview
4,6-Dimethylbenzoangelicin (CAS 118929-49-0), with molecular formula C17H12O3 and molecular weight 264.08 g/mol. IUPAC: 4,6-dimethyl-[1]benzofuro[2,3-h]chromen-2-one.
Chemical Property Profile of 4,6-Dimethylbenzoangelicin
Property Insights of 4,6-Dimethylbenzoangelicin
The XLogP value of 3.9 indicates that 4,6-Dimethylbenzoangelicin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.4 Ų, 4,6-Dimethylbenzoangelicin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Dimethylbenzoangelicin has 0 hydrogen bond donor(s) and 3 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 4,6-Dimethylbenzoangelicin?
The CAS number of 4,6-Dimethylbenzoangelicin is 118929-49-0.
What is the molecular formula of 4,6-Dimethylbenzoangelicin?
The molecular formula of 4,6-Dimethylbenzoangelicin is C17H12O3.
What is the molecular weight of 4,6-Dimethylbenzoangelicin?
The molecular weight of 4,6-Dimethylbenzoangelicin is 264.08 g/mol.
Where can I buy 4,6-Dimethylbenzoangelicin?
You can request a quote for 4,6-Dimethylbenzoangelicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dimethylbenzoangelicin?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dimethylbenzoangelicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.