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Methyl {[(3,4-dichlorophenyl)sulfonyl]-4-methylanilino}acetate
TL;DR: Methyl {[(3,4-dichlorophenyl)sulfonyl]-4-methylanilino}acetate (CAS 429646-69-5) is a chemical compound with molecular formula C16H15Cl2NO4S and molecular weight 387.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(N-(3,4-dichlorophenyl)sulfonyl-4-methylanilino)acetate
Also Known As: CBKinase1_001424, CBKinase1_013824, methyl {[(3,4-dichlorophenyl)sulfonyl]-4-methylanilino}acetate, methyl 2-(N-(3,4-dichlorophenyl)sulfonyl-4-methylanilino)acetate, methyl 2-(3,4-dichloro-N-(p-tolyl)phenylsulfonamido)acetate
| Molecular Formula | C16H15Cl2NO4S |
|---|---|
| Molecular Weight | 387.01 g/mol |
| LogP | 3.67012 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.0099 |
| Heavy Atoms | 24 |
| Complexity | 850.88116 |
Chemical Identifiers
| CAS Number | 429646-69-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N(CC(=O)OC)S(=O)(=O)C2=CC(=C(C=C2)Cl)Cl |
Product Overview
Methyl {[(3,4-dichlorophenyl)sulfonyl]-4-methylanilino}acetate (CAS 429646-69-5), with molecular formula C16H15Cl2NO4S and molecular weight 387.01 g/mol. IUPAC: methyl 2-(N-(3,4-dichlorophenyl)sulfonyl-4-methylanilino)acetate.
Chemical Property Profile of Methyl {[(3,4-dichlorophenyl)sulfonyl]-4-methylanilino}acetate
Property Insights of Methyl {[(3,4-dichlorophenyl)sulfonyl]-4-methylanilino}acetate
The XLogP value of 3.67012 indicates that Methyl {[(3,4-dichlorophenyl)sulfonyl]-4-methylanilino}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl {[(3,4-dichlorophenyl)sulfonyl]-4-methylanilino}acetate. Following Lipinski's Rule of Five, Methyl {[(3,4-dichlorophenyl)sulfonyl]-4-methylanilino}acetate 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 Methyl {[(3,4-dichlorophenyl)sulfonyl]-4-methylanilino}acetate?
The CAS number of Methyl {[(3,4-dichlorophenyl)sulfonyl]-4-methylanilino}acetate is 429646-69-5.
What is the molecular formula of Methyl {[(3,4-dichlorophenyl)sulfonyl]-4-methylanilino}acetate?
The molecular formula of Methyl {[(3,4-dichlorophenyl)sulfonyl]-4-methylanilino}acetate is C16H15Cl2NO4S.
What is the molecular weight of Methyl {[(3,4-dichlorophenyl)sulfonyl]-4-methylanilino}acetate?
The molecular weight of Methyl {[(3,4-dichlorophenyl)sulfonyl]-4-methylanilino}acetate is 387.01 g/mol.
Where can I buy Methyl {[(3,4-dichlorophenyl)sulfonyl]-4-methylanilino}acetate?
You can request a quote for Methyl {[(3,4-dichlorophenyl)sulfonyl]-4-methylanilino}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl {[(3,4-dichlorophenyl)sulfonyl]-4-methylanilino}acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl {[(3,4-dichlorophenyl)sulfonyl]-4-methylanilino}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.