methyl 4-chloro-3-(2-(N-(3,5-dimethylphenyl)methylsulfonamido)propanamido)benzoate
TL;DR: methyl 4-chloro-3-(2-(N-(3,5-dimethylphenyl)methylsulfonamido)propanamido)benzoate (CAS 1008711-25-8) is a chemical compound with molecular formula C20H23ClN2O5S and molecular weight 438.10162 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-chloro-3-[2-(3,5-dimethyl-N-methylsulfonylanilino)propanoylamino]benzoate
Also Known As: methyl 4-chloro-3-(2-(N-(3,5-dimethylphenyl)methylsulfonamido)propanamido)benzoate, methyl 4-chloro-3-[2-(3,5-dimethyl-N-methylsulfonylanilino)propanoylamino]benzoate, methyl 4-chloro-3-{[N-(3,5-dimethylphenyl)-N-(methylsulfonyl)alanyl]amino}benzoate
Technical Specifications
| Molecular Formula | C20H23ClN2O5S |
| Molecular Weight | 438.10162 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 438.10162 Da |
| Heavy Atoms | 29 |
| Complexity | 685.0 |
| SMILES | CC1=CC(=CC(=C1)N(C(C)C(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)S(=O)(=O)C)C |
| InChIKey | GPAFJPSWKMSUDC-UHFFFAOYSA-N |
Chemical Property Profile of methyl 4-chloro-3-(2-(N-(3,5-dimethylphenyl)methylsulfonamido)propanamido)benzoate
Property Insights of methyl 4-chloro-3-(2-(N-(3,5-dimethylphenyl)methylsulfonamido)propanamido)benzoate
The XLogP value of 3.6 indicates that methyl 4-chloro-3-(2-(N-(3,5-dimethylphenyl)methylsulfonamido)propanamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-chloro-3-(2-(N-(3,5-dimethylphenyl)methylsulfonamido)propanamido)benzoate. Following Lipinski's Rule of Five, methyl 4-chloro-3-(2-(N-(3,5-dimethylphenyl)methylsulfonamido)propanamido)benzoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of methyl 4-chloro-3-(2-(N-(3,5-dimethylphenyl)methylsulfonamido)propanamido)benzoate?
The CAS number of methyl 4-chloro-3-(2-(N-(3,5-dimethylphenyl)methylsulfonamido)propanamido)benzoate is 1008711-25-8.
What is the molecular formula of methyl 4-chloro-3-(2-(N-(3,5-dimethylphenyl)methylsulfonamido)propanamido)benzoate?
The molecular formula of methyl 4-chloro-3-(2-(N-(3,5-dimethylphenyl)methylsulfonamido)propanamido)benzoate is C20H23ClN2O5S.
What is the molecular weight of methyl 4-chloro-3-(2-(N-(3,5-dimethylphenyl)methylsulfonamido)propanamido)benzoate?
The molecular weight of methyl 4-chloro-3-(2-(N-(3,5-dimethylphenyl)methylsulfonamido)propanamido)benzoate is 438.10162 g/mol.
Where can I buy methyl 4-chloro-3-(2-(N-(3,5-dimethylphenyl)methylsulfonamido)propanamido)benzoate?
You can request a quote for methyl 4-chloro-3-(2-(N-(3,5-dimethylphenyl)methylsulfonamido)propanamido)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 4-chloro-3-(2-(N-(3,5-dimethylphenyl)methylsulfonamido)propanamido)benzoate?
Yes, CoreyChem provides custom synthesis services for methyl 4-chloro-3-(2-(N-(3,5-dimethylphenyl)methylsulfonamido)propanamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.