((2-(Aminocarbonyl)-5-ethoxyphenyl)thio)acetic acid
TL;DR: ((2-(Aminocarbonyl)-5-ethoxyphenyl)thio)acetic acid (CAS 84029-50-5) is a chemical compound with molecular formula C11H13NO4S and molecular weight 255.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-carbamoyl-5-ethoxyphenyl)sulfanylacetic acid
Also Known As: MixCom1_000018, Maybridge1_000018, EINECS 281-723-0, ((2-(Aminocarbonyl)-5-ethoxyphenyl)thio)acetic acid, 2-(2-carbamoyl-5-ethoxyphenyl)sulfanylacetic acid
| Molecular Formula | C11H13NO4S |
|---|---|
| Molecular Weight | 255.06 g/mol |
| LogP | 1.3609 |
| Topological Polar Surface Area | 89.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 255.05653 |
| Heavy Atoms | 17 |
| Complexity | 433.47964 |
Chemical Identifiers
| CAS Number | 84029-50-5 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1)C(=O)N)SCC(=O)O |
Product Overview
((2-(Aminocarbonyl)-5-ethoxyphenyl)thio)acetic acid (CAS 84029-50-5), with molecular formula C11H13NO4S and molecular weight 255.06 g/mol. IUPAC: 2-(2-carbamoyl-5-ethoxyphenyl)sulfanylacetic acid.
Chemical Property Profile of ((2-(Aminocarbonyl)-5-ethoxyphenyl)thio)acetic acid
Property Insights of ((2-(Aminocarbonyl)-5-ethoxyphenyl)thio)acetic acid
The XLogP value of 1.3609 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((2-(Aminocarbonyl)-5-ethoxyphenyl)thio)acetic acid. The TPSA of 89.62 Ų falls within the moderate polarity range, balancing permeability and solubility for ((2-(Aminocarbonyl)-5-ethoxyphenyl)thio)acetic acid. Following Lipinski's Rule of Five, ((2-(Aminocarbonyl)-5-ethoxyphenyl)thio)acetic acid has 2 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 ((2-(Aminocarbonyl)-5-ethoxyphenyl)thio)acetic acid?
The CAS number of ((2-(Aminocarbonyl)-5-ethoxyphenyl)thio)acetic acid is 84029-50-5.
What is the molecular formula of ((2-(Aminocarbonyl)-5-ethoxyphenyl)thio)acetic acid?
The molecular formula of ((2-(Aminocarbonyl)-5-ethoxyphenyl)thio)acetic acid is C11H13NO4S.
What is the molecular weight of ((2-(Aminocarbonyl)-5-ethoxyphenyl)thio)acetic acid?
The molecular weight of ((2-(Aminocarbonyl)-5-ethoxyphenyl)thio)acetic acid is 255.06 g/mol.
Where can I buy ((2-(Aminocarbonyl)-5-ethoxyphenyl)thio)acetic acid?
You can request a quote for ((2-(Aminocarbonyl)-5-ethoxyphenyl)thio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((2-(Aminocarbonyl)-5-ethoxyphenyl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for ((2-(Aminocarbonyl)-5-ethoxyphenyl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.