4-Sulfoxyphenylacetyl dehydroalanine
TL;DR: 4-Sulfoxyphenylacetyl dehydroalanine (CAS 138748-39-7) is a chemical compound with molecular formula C11H11NO7S and molecular weight 301.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(4-sulfooxyphenyl)acetyl]amino]prop-2-enoic acid
Also Known As: 4-sulfoxyphenylacetyl dehydroalanine, AD 19, Parasulfoxyphenyl-acetyl dehydroalanine, Parasulfoxyphenyl-acetyl dehydrolalanine, 2-[[2-(4-sulfooxyphenyl)acetyl]amino]prop-2-enoic acid
| Molecular Formula | C11H11NO7S |
|---|---|
| Molecular Weight | 301.03 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.02563 |
| Heavy Atoms | 20 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 138748-39-7 |
|---|---|
| SMILES | C=C(C(=O)O)NC(=O)CC1=CC=C(C=C1)OS(=O)(=O)O |
| InChIKey | BTLKSOMRDDBUNH-UHFFFAOYSA-N |
Product Overview
4-Sulfoxyphenylacetyl dehydroalanine (CAS 138748-39-7), with molecular formula C11H11NO7S and molecular weight 301.03 g/mol. IUPAC: 2-[[2-(4-sulfooxyphenyl)acetyl]amino]prop-2-enoic acid.
Chemical Property Profile of 4-Sulfoxyphenylacetyl dehydroalanine
Property Insights of 4-Sulfoxyphenylacetyl dehydroalanine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Sulfoxyphenylacetyl dehydroalanine. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Sulfoxyphenylacetyl dehydroalanine. Following Lipinski's Rule of Five, 4-Sulfoxyphenylacetyl dehydroalanine has 3 hydrogen bond donor(s) and 7 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 4-Sulfoxyphenylacetyl dehydroalanine?
The CAS number of 4-Sulfoxyphenylacetyl dehydroalanine is 138748-39-7.
What is the molecular formula of 4-Sulfoxyphenylacetyl dehydroalanine?
The molecular formula of 4-Sulfoxyphenylacetyl dehydroalanine is C11H11NO7S.
What is the molecular weight of 4-Sulfoxyphenylacetyl dehydroalanine?
The molecular weight of 4-Sulfoxyphenylacetyl dehydroalanine is 301.03 g/mol.
Where can I buy 4-Sulfoxyphenylacetyl dehydroalanine?
You can request a quote for 4-Sulfoxyphenylacetyl dehydroalanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Sulfoxyphenylacetyl dehydroalanine?
Yes, KEHONG BIO provides custom synthesis services for 4-Sulfoxyphenylacetyl dehydroalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.