Methyl 5-chloro-4-(isobutyrylamino)-2-methoxybenzoate
TL;DR: Methyl 5-chloro-4-(isobutyrylamino)-2-methoxybenzoate (CAS 302575-02-6) is a chemical compound with molecular formula C13H16ClNO4 and molecular weight 285.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-chloro-2-methoxy-4-(2-methylpropanoylamino)benzoate
Also Known As: methyl 5-chloro-4-(isobutyrylamino)-2-methoxybenzoate, methyl 5-chloro-4-isobutyramido-2-methoxybenzoate, VU0033764-3, methyl 5-chloro-2-methoxy-4-(2-methylpropanoylamino)benzoate, methyl 5-chloro-2-methoxy-4-(2-methybutyrylamino)benzoate
| Molecular Formula | C13H16ClNO4 |
|---|---|
| Molecular Weight | 285.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 285.07678 |
| Heavy Atoms | 19 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 302575-02-6 |
|---|---|
| SMILES | CC(C)C(=O)NC1=C(C=C(C(=C1)OC)C(=O)OC)Cl |
| InChIKey | MFRDRHQVUHOVGS-UHFFFAOYSA-N |
Product Overview
Methyl 5-chloro-4-(isobutyrylamino)-2-methoxybenzoate (CAS 302575-02-6), with molecular formula C13H16ClNO4 and molecular weight 285.08 g/mol. IUPAC: methyl 5-chloro-2-methoxy-4-(2-methylpropanoylamino)benzoate.
Chemical Property Profile of Methyl 5-chloro-4-(isobutyrylamino)-2-methoxybenzoate
Property Insights of Methyl 5-chloro-4-(isobutyrylamino)-2-methoxybenzoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-chloro-4-(isobutyrylamino)-2-methoxybenzoate. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-chloro-4-(isobutyrylamino)-2-methoxybenzoate. Following Lipinski's Rule of Five, Methyl 5-chloro-4-(isobutyrylamino)-2-methoxybenzoate 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 Methyl 5-chloro-4-(isobutyrylamino)-2-methoxybenzoate?
The CAS number of Methyl 5-chloro-4-(isobutyrylamino)-2-methoxybenzoate is 302575-02-6.
What is the molecular formula of Methyl 5-chloro-4-(isobutyrylamino)-2-methoxybenzoate?
The molecular formula of Methyl 5-chloro-4-(isobutyrylamino)-2-methoxybenzoate is C13H16ClNO4.
What is the molecular weight of Methyl 5-chloro-4-(isobutyrylamino)-2-methoxybenzoate?
The molecular weight of Methyl 5-chloro-4-(isobutyrylamino)-2-methoxybenzoate is 285.08 g/mol.
Where can I buy Methyl 5-chloro-4-(isobutyrylamino)-2-methoxybenzoate?
You can request a quote for Methyl 5-chloro-4-(isobutyrylamino)-2-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-chloro-4-(isobutyrylamino)-2-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-chloro-4-(isobutyrylamino)-2-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.