(4,4-Dimethyl-3-oxo-1-phenylisochromen-1-yl) methyl carbonate
TL;DR: (4,4-Dimethyl-3-oxo-1-phenylisochromen-1-yl) methyl carbonate (CAS 14596-90-8) is a chemical compound with molecular formula C19H18O5 and molecular weight 326.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,4-dimethyl-3-oxo-1-phenylisochromen-1-yl) methyl carbonate
Also Known As: (4,4-dimethyl-3-oxo-1-phenylisochromen-1-yl) methyl carbonate, (4,4-dimethyl-3-oxo-1-phenylisochromen-1-yl) methyl carbonat, 4,4-Dimethyl-3-oxo-1-phenyl-3,4-dihydro-1H-2-benzopyran-1-yl methyl carbonate
| Molecular Formula | C19H18O5 |
|---|---|
| Molecular Weight | 326.12 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.11542 |
| Heavy Atoms | 24 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 14596-90-8 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2C(OC1=O)(C3=CC=CC=C3)OC(=O)OC)C |
| InChIKey | LODVOWYYPSLWDT-UHFFFAOYSA-N |
Product Overview
(4,4-Dimethyl-3-oxo-1-phenylisochromen-1-yl) methyl carbonate (CAS 14596-90-8), with molecular formula C19H18O5 and molecular weight 326.12 g/mol. IUPAC: (4,4-dimethyl-3-oxo-1-phenylisochromen-1-yl) methyl carbonate.
Chemical Property Profile of (4,4-Dimethyl-3-oxo-1-phenylisochromen-1-yl) methyl carbonate
Property Insights of (4,4-Dimethyl-3-oxo-1-phenylisochromen-1-yl) methyl carbonate
The XLogP value of 4.1 indicates that (4,4-Dimethyl-3-oxo-1-phenylisochromen-1-yl) methyl carbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (4,4-Dimethyl-3-oxo-1-phenylisochromen-1-yl) methyl carbonate. Following Lipinski's Rule of Five, (4,4-Dimethyl-3-oxo-1-phenylisochromen-1-yl) methyl carbonate 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 (4,4-Dimethyl-3-oxo-1-phenylisochromen-1-yl) methyl carbonate?
The CAS number of (4,4-Dimethyl-3-oxo-1-phenylisochromen-1-yl) methyl carbonate is 14596-90-8.
What is the molecular formula of (4,4-Dimethyl-3-oxo-1-phenylisochromen-1-yl) methyl carbonate?
The molecular formula of (4,4-Dimethyl-3-oxo-1-phenylisochromen-1-yl) methyl carbonate is C19H18O5.
What is the molecular weight of (4,4-Dimethyl-3-oxo-1-phenylisochromen-1-yl) methyl carbonate?
The molecular weight of (4,4-Dimethyl-3-oxo-1-phenylisochromen-1-yl) methyl carbonate is 326.12 g/mol.
Where can I buy (4,4-Dimethyl-3-oxo-1-phenylisochromen-1-yl) methyl carbonate?
You can request a quote for (4,4-Dimethyl-3-oxo-1-phenylisochromen-1-yl) methyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4,4-Dimethyl-3-oxo-1-phenylisochromen-1-yl) methyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for (4,4-Dimethyl-3-oxo-1-phenylisochromen-1-yl) methyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.