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Methyl 2-{[(4-bromophenyl)sulfonyl]amino}-3,3-dimethylbutanoate
TL;DR: Methyl 2-{[(4-bromophenyl)sulfonyl]amino}-3,3-dimethylbutanoate (CAS 1214641-26-5) is a chemical compound with molecular formula C13H18BrNO4S and molecular weight 363.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-bromophenyl)sulfonylamino]-3,3-dimethylbutanoate
Also Known As: Bionet1_003121, methyl 2-{[(4-bromophenyl)sulfonyl]amino}-3,3-dimethylbutanoate, methyl 2-(4-bromobenzenesulfonamido)-3,3-dimethylbutanoate, 6N-032, methyl 2-[(4-bromophenyl)sulfonylamino]-3,3-dimethylbutanoate
| Molecular Formula | C13H18BrNO4S |
|---|---|
| Molecular Weight | 363.01 g/mol |
| LogP | 2.3151 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.01398 |
| Heavy Atoms | 20 |
| Complexity | 575.38385 |
Chemical Identifiers
| CAS Number | 1214641-26-5 |
|---|---|
| SMILES | CC(C)(C)C(C(=O)OC)NS(=O)(=O)C1=CC=C(C=C1)Br |
Product Overview
Methyl 2-{[(4-bromophenyl)sulfonyl]amino}-3,3-dimethylbutanoate (CAS 1214641-26-5), with molecular formula C13H18BrNO4S and molecular weight 363.01 g/mol. IUPAC: methyl 2-[(4-bromophenyl)sulfonylamino]-3,3-dimethylbutanoate.
Chemical Property Profile of Methyl 2-{[(4-bromophenyl)sulfonyl]amino}-3,3-dimethylbutanoate
Property Insights of Methyl 2-{[(4-bromophenyl)sulfonyl]amino}-3,3-dimethylbutanoate
The XLogP value of 2.3151 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-{[(4-bromophenyl)sulfonyl]amino}-3,3-dimethylbutanoate. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-{[(4-bromophenyl)sulfonyl]amino}-3,3-dimethylbutanoate. Following Lipinski's Rule of Five, Methyl 2-{[(4-bromophenyl)sulfonyl]amino}-3,3-dimethylbutanoate 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 2-{[(4-bromophenyl)sulfonyl]amino}-3,3-dimethylbutanoate?
The CAS number of Methyl 2-{[(4-bromophenyl)sulfonyl]amino}-3,3-dimethylbutanoate is 1214641-26-5.
What is the molecular formula of Methyl 2-{[(4-bromophenyl)sulfonyl]amino}-3,3-dimethylbutanoate?
The molecular formula of Methyl 2-{[(4-bromophenyl)sulfonyl]amino}-3,3-dimethylbutanoate is C13H18BrNO4S.
What is the molecular weight of Methyl 2-{[(4-bromophenyl)sulfonyl]amino}-3,3-dimethylbutanoate?
The molecular weight of Methyl 2-{[(4-bromophenyl)sulfonyl]amino}-3,3-dimethylbutanoate is 363.01 g/mol.
Where can I buy Methyl 2-{[(4-bromophenyl)sulfonyl]amino}-3,3-dimethylbutanoate?
You can request a quote for Methyl 2-{[(4-bromophenyl)sulfonyl]amino}-3,3-dimethylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-{[(4-bromophenyl)sulfonyl]amino}-3,3-dimethylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{[(4-bromophenyl)sulfonyl]amino}-3,3-dimethylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.