7-Oxocyclohepta-1,3,5-trien-1-YL 3-chlorobenzoate
TL;DR: 7-Oxocyclohepta-1,3,5-trien-1-YL 3-chlorobenzoate (CAS 332177-86-3) is a chemical compound with molecular formula C14H9ClO3 and molecular weight 260.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-oxocyclohepta-1,3,5-trien-1-yl) 3-chlorobenzoate
Also Known As: BAS 01280700, 7-oxo-1,3,5-cycloheptatrien-1-yl 3-chlorobenzoate, (7-oxocyclohepta-1,3,5-trien-1-yl) 3-chlorobenzoate, 7-OXOCYCLOHEPTA-1,3,5-TRIEN-1-YL 3-CHLOROBENZOATE, 3-Chloro-benzoic acid 7-oxo-cyclohepta-1,3,5-trienyl ester
| Molecular Formula | C14H9ClO3 |
|---|---|
| Molecular Weight | 260.02 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.02402 |
| Heavy Atoms | 18 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 332177-86-3 |
|---|---|
| SMILES | C1=CC=C(C(=O)C=C1)OC(=O)C2=CC(=CC=C2)Cl |
| InChIKey | JDAYOQGSXVCMRB-UHFFFAOYSA-N |
Product Overview
7-Oxocyclohepta-1,3,5-trien-1-YL 3-chlorobenzoate (CAS 332177-86-3), with molecular formula C14H9ClO3 and molecular weight 260.02 g/mol. IUPAC: (7-oxocyclohepta-1,3,5-trien-1-yl) 3-chlorobenzoate.
Chemical Property Profile of 7-Oxocyclohepta-1,3,5-trien-1-YL 3-chlorobenzoate
Property Insights of 7-Oxocyclohepta-1,3,5-trien-1-YL 3-chlorobenzoate
The XLogP value of 3.8 indicates that 7-Oxocyclohepta-1,3,5-trien-1-YL 3-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 7-Oxocyclohepta-1,3,5-trien-1-YL 3-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Oxocyclohepta-1,3,5-trien-1-YL 3-chlorobenzoate 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 7-Oxocyclohepta-1,3,5-trien-1-YL 3-chlorobenzoate?
The CAS number of 7-Oxocyclohepta-1,3,5-trien-1-YL 3-chlorobenzoate is 332177-86-3.
What is the molecular formula of 7-Oxocyclohepta-1,3,5-trien-1-YL 3-chlorobenzoate?
The molecular formula of 7-Oxocyclohepta-1,3,5-trien-1-YL 3-chlorobenzoate is C14H9ClO3.
What is the molecular weight of 7-Oxocyclohepta-1,3,5-trien-1-YL 3-chlorobenzoate?
The molecular weight of 7-Oxocyclohepta-1,3,5-trien-1-YL 3-chlorobenzoate is 260.02 g/mol.
Where can I buy 7-Oxocyclohepta-1,3,5-trien-1-YL 3-chlorobenzoate?
You can request a quote for 7-Oxocyclohepta-1,3,5-trien-1-YL 3-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Oxocyclohepta-1,3,5-trien-1-YL 3-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 7-Oxocyclohepta-1,3,5-trien-1-YL 3-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.