4'-Chloro-2',5'-dimethoxyacetoacetanilide
TL;DR: 4'-Chloro-2',5'-dimethoxyacetoacetanilide (CAS 4433-79-8) is a chemical compound with molecular formula C12H14ClNO4 and molecular weight 271.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutanamide
Also Known As: 4'-Chloro-2',5'-dimethoxyacetoacetanilide, Naphthol AS-IRG, Naphtol AS-IRG, Naphtanilide LRG, Naphtazol 4J
| Molecular Formula | C12H14ClNO4 |
|---|---|
| Molecular Weight | 271.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 271.06113 |
| Heavy Atoms | 18 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 4433-79-8 |
|---|---|
| SMILES | CC(=O)CC(=O)NC1=CC(=C(C=C1OC)Cl)OC |
| InChIKey | MOUVJGIRLPZEES-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4'-Chloro-2',5'-dimethoxyacetoacetanilide (CAS 4433-79-8), with molecular formula C12H14ClNO4 and molecular weight 271.06 g/mol. IUPAC: N-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutanamide.
Chemical Property Profile of 4'-Chloro-2',5'-dimethoxyacetoacetanilide
Property Insights of 4'-Chloro-2',5'-dimethoxyacetoacetanilide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Chloro-2',5'-dimethoxyacetoacetanilide. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Chloro-2',5'-dimethoxyacetoacetanilide. Following Lipinski's Rule of Five, 4'-Chloro-2',5'-dimethoxyacetoacetanilide has 1 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'-Chloro-2',5'-dimethoxyacetoacetanilide?
The CAS number of 4'-Chloro-2',5'-dimethoxyacetoacetanilide is 4433-79-8.
What is the molecular formula of 4'-Chloro-2',5'-dimethoxyacetoacetanilide?
The molecular formula of 4'-Chloro-2',5'-dimethoxyacetoacetanilide is C12H14ClNO4.
What is the molecular weight of 4'-Chloro-2',5'-dimethoxyacetoacetanilide?
The molecular weight of 4'-Chloro-2',5'-dimethoxyacetoacetanilide is 271.06 g/mol.
Where can I buy 4'-Chloro-2',5'-dimethoxyacetoacetanilide?
You can request a quote for 4'-Chloro-2',5'-dimethoxyacetoacetanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Chloro-2',5'-dimethoxyacetoacetanilide?
Yes, KEHONG BIO provides custom synthesis services for 4'-Chloro-2',5'-dimethoxyacetoacetanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.