![Methyl 2-acetamido-3-[(4-aminophenyl)methylsulfonyl]propanoate structure](/static/products/809/80935-77-9.png)
Methyl 2-acetamido-3-[(4-aminophenyl)methylsulfonyl]propanoate
TL;DR: Methyl 2-acetamido-3-[(4-aminophenyl)methylsulfonyl]propanoate (CAS 80935-77-9) is a chemical compound with molecular formula C13H18N2O5S and molecular weight 314.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetamido-3-[(4-aminophenyl)methylsulfonyl]propanoate
Also Known As: methyl n-acetyl-3-[(4-aminobenzyl)sulfonyl]alaninate, methyl 2-acetamido-3-[(4-aminophenyl)methylsulfonyl]propanoate
| Molecular Formula | C13H18N2O5S |
|---|---|
| Molecular Weight | 314.09 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 314.09363 |
| Heavy Atoms | 21 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 80935-77-9 |
|---|---|
| SMILES | CC(=O)NC(CS(=O)(=O)CC1=CC=C(C=C1)N)C(=O)OC |
| InChIKey | ATXAHOHCDMRCCL-UHFFFAOYSA-N |
Product Overview
Methyl 2-acetamido-3-[(4-aminophenyl)methylsulfonyl]propanoate (CAS 80935-77-9), with molecular formula C13H18N2O5S and molecular weight 314.09 g/mol. IUPAC: methyl 2-acetamido-3-[(4-aminophenyl)methylsulfonyl]propanoate.
Chemical Property Profile of Methyl 2-acetamido-3-[(4-aminophenyl)methylsulfonyl]propanoate
Property Insights of Methyl 2-acetamido-3-[(4-aminophenyl)methylsulfonyl]propanoate
The XLogP value of -0.3 indicates that Methyl 2-acetamido-3-[(4-aminophenyl)methylsulfonyl]propanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-acetamido-3-[(4-aminophenyl)methylsulfonyl]propanoate. Following Lipinski's Rule of Five, Methyl 2-acetamido-3-[(4-aminophenyl)methylsulfonyl]propanoate has 2 hydrogen bond donor(s) and 6 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-acetamido-3-[(4-aminophenyl)methylsulfonyl]propanoate?
The CAS number of Methyl 2-acetamido-3-[(4-aminophenyl)methylsulfonyl]propanoate is 80935-77-9.
What is the molecular formula of Methyl 2-acetamido-3-[(4-aminophenyl)methylsulfonyl]propanoate?
The molecular formula of Methyl 2-acetamido-3-[(4-aminophenyl)methylsulfonyl]propanoate is C13H18N2O5S.
What is the molecular weight of Methyl 2-acetamido-3-[(4-aminophenyl)methylsulfonyl]propanoate?
The molecular weight of Methyl 2-acetamido-3-[(4-aminophenyl)methylsulfonyl]propanoate is 314.09 g/mol.
Where can I buy Methyl 2-acetamido-3-[(4-aminophenyl)methylsulfonyl]propanoate?
You can request a quote for Methyl 2-acetamido-3-[(4-aminophenyl)methylsulfonyl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-acetamido-3-[(4-aminophenyl)methylsulfonyl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-acetamido-3-[(4-aminophenyl)methylsulfonyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.