4-Chlorophenyl 3-methyl-1-oxoisochroman-3-carboxylate
TL;DR: 4-Chlorophenyl 3-methyl-1-oxoisochroman-3-carboxylate (CAS 853754-09-3) is a chemical compound with molecular formula C17H13ClO4 and molecular weight 316.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl) 3-methyl-1-oxo-4H-isochromene-3-carboxylate
Also Known As: 4-chlorophenyl 3-methyl-1-oxoisochroman-3-carboxylate, (4-chlorophenyl) 3-methyl-1-oxo-4H-isochromene-3-carboxylate, 4-chlorophenyl 3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylate, 4-chlorophenyl 3-methyl-1-oxoisochromane-3-carboxylate, F1762-0594
| Molecular Formula | C17H13ClO4 |
|---|---|
| Molecular Weight | 316.05 g/mol |
| LogP | 3.4172 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.05023 |
| Heavy Atoms | 22 |
| Complexity | 738.5791 |
Chemical Identifiers
| CAS Number | 853754-09-3 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2C(=O)O1)C(=O)OC3=CC=C(C=C3)Cl |
Product Overview
4-Chlorophenyl 3-methyl-1-oxoisochroman-3-carboxylate (CAS 853754-09-3), with molecular formula C17H13ClO4 and molecular weight 316.05 g/mol. IUPAC: (4-chlorophenyl) 3-methyl-1-oxo-4H-isochromene-3-carboxylate.
Chemical Property Profile of 4-Chlorophenyl 3-methyl-1-oxoisochroman-3-carboxylate
Property Insights of 4-Chlorophenyl 3-methyl-1-oxoisochroman-3-carboxylate
The XLogP value of 3.4172 indicates that 4-Chlorophenyl 3-methyl-1-oxoisochroman-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 4-Chlorophenyl 3-methyl-1-oxoisochroman-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorophenyl 3-methyl-1-oxoisochroman-3-carboxylate has 0 hydrogen bond donor(s) and 4 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-Chlorophenyl 3-methyl-1-oxoisochroman-3-carboxylate?
The CAS number of 4-Chlorophenyl 3-methyl-1-oxoisochroman-3-carboxylate is 853754-09-3.
What is the molecular formula of 4-Chlorophenyl 3-methyl-1-oxoisochroman-3-carboxylate?
The molecular formula of 4-Chlorophenyl 3-methyl-1-oxoisochroman-3-carboxylate is C17H13ClO4.
What is the molecular weight of 4-Chlorophenyl 3-methyl-1-oxoisochroman-3-carboxylate?
The molecular weight of 4-Chlorophenyl 3-methyl-1-oxoisochroman-3-carboxylate is 316.05 g/mol.
Where can I buy 4-Chlorophenyl 3-methyl-1-oxoisochroman-3-carboxylate?
You can request a quote for 4-Chlorophenyl 3-methyl-1-oxoisochroman-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorophenyl 3-methyl-1-oxoisochroman-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorophenyl 3-methyl-1-oxoisochroman-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.