N-(4-Chloro-2-methoxy-5-methyl-phenyl)-3-oxo-butanamide
TL;DR: N-(4-Chloro-2-methoxy-5-methyl-phenyl)-3-oxo-butanamide (CAS 91494-73-4) is a chemical compound with molecular formula C12H14ClNO3 and molecular weight 255.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-2-methoxy-5-methylphenyl)-3-oxobutanamide
Also Known As: N-(4-chloro-2-methoxy-5-methylphenyl)-3-oxobutanamide, N-(4-CHLORO-2-METHOXY-5-METHYL-PHENYL)-3-OXO-BUTANAMIDE
| Molecular Formula | C12H14ClNO3 |
|---|---|
| Molecular Weight | 255.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.06622 |
| Heavy Atoms | 17 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 91494-73-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Cl)OC)NC(=O)CC(=O)C |
| InChIKey | OIDGYCFXXQGIPL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(4-Chloro-2-methoxy-5-methyl-phenyl)-3-oxo-butanamide (CAS 91494-73-4), with molecular formula C12H14ClNO3 and molecular weight 255.07 g/mol. IUPAC: N-(4-chloro-2-methoxy-5-methylphenyl)-3-oxobutanamide.
Chemical Property Profile of N-(4-Chloro-2-methoxy-5-methyl-phenyl)-3-oxo-butanamide
Property Insights of N-(4-Chloro-2-methoxy-5-methyl-phenyl)-3-oxo-butanamide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-Chloro-2-methoxy-5-methyl-phenyl)-3-oxo-butanamide. With a topological polar surface area (TPSA) of 55.4 Ų, N-(4-Chloro-2-methoxy-5-methyl-phenyl)-3-oxo-butanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-Chloro-2-methoxy-5-methyl-phenyl)-3-oxo-butanamide has 1 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 N-(4-Chloro-2-methoxy-5-methyl-phenyl)-3-oxo-butanamide?
The CAS number of N-(4-Chloro-2-methoxy-5-methyl-phenyl)-3-oxo-butanamide is 91494-73-4.
What is the molecular formula of N-(4-Chloro-2-methoxy-5-methyl-phenyl)-3-oxo-butanamide?
The molecular formula of N-(4-Chloro-2-methoxy-5-methyl-phenyl)-3-oxo-butanamide is C12H14ClNO3.
What is the molecular weight of N-(4-Chloro-2-methoxy-5-methyl-phenyl)-3-oxo-butanamide?
The molecular weight of N-(4-Chloro-2-methoxy-5-methyl-phenyl)-3-oxo-butanamide is 255.07 g/mol.
Where can I buy N-(4-Chloro-2-methoxy-5-methyl-phenyl)-3-oxo-butanamide?
You can request a quote for N-(4-Chloro-2-methoxy-5-methyl-phenyl)-3-oxo-butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Chloro-2-methoxy-5-methyl-phenyl)-3-oxo-butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Chloro-2-methoxy-5-methyl-phenyl)-3-oxo-butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.