3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl propanoate
TL;DR: 3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl propanoate (CAS 92168-22-4) is a chemical compound with molecular formula C13H9ClO4 and molecular weight 264.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-1,4-dioxonaphthalen-2-yl) propanoate
Also Known As: 3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl propanoate, (3-chloro-1,4-dioxonaphthalen-2-yl) propanoate, 3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl propionate
| Molecular Formula | C13H9ClO4 |
|---|---|
| Molecular Weight | 264.02 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.01895 |
| Heavy Atoms | 18 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 92168-22-4 |
|---|---|
| SMILES | CCC(=O)OC1=C(C(=O)C2=CC=CC=C2C1=O)Cl |
| InChIKey | WWRTVIBVPGPHRU-UHFFFAOYSA-N |
Product Overview
3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl propanoate (CAS 92168-22-4), with molecular formula C13H9ClO4 and molecular weight 264.02 g/mol. IUPAC: (3-chloro-1,4-dioxonaphthalen-2-yl) propanoate.
Chemical Property Profile of 3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl propanoate
Property Insights of 3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl propanoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl propanoate. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl propanoate. Following Lipinski's Rule of Five, 3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl propanoate 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 3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl propanoate?
The CAS number of 3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl propanoate is 92168-22-4.
What is the molecular formula of 3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl propanoate?
The molecular formula of 3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl propanoate is C13H9ClO4.
What is the molecular weight of 3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl propanoate?
The molecular weight of 3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl propanoate is 264.02 g/mol.
Where can I buy 3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl propanoate?
You can request a quote for 3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl propanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.