Butyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate
TL;DR: Butyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate (CAS 84856-30-4) is a chemical compound with molecular formula C21H23NO6S2 and molecular weight 449.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-[2-[2-(thiophene-2-carbonylsulfanyl)propanoylamino]acetyl]oxybenzoate
Also Known As: Butyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate, N-(1-Oxo-2-((2-thienylcarbonyl)thio)propyl)glycine 2-(butoxycarbonyl)phenyl ester, Glycine, N-(1-oxo-2-((2-thienylcarbonyl)thio)propyl)-, 2-(butoxycarbonyl)phenyl ester, butyl 2-[2-[2-(thiophene-2-carbonylsulfanyl)propanoylamino]acetyl]oxybenzoate, N-{2-[2-(Butoxycarbonyl)phenoxy]-2-oxoethyl}-2-[(thiophene-2-carbonyl)sulfanyl]propanimidic acid
| Molecular Formula | C21H23NO6S2 |
|---|---|
| Molecular Weight | 449.10 g/mol |
| LogP | 3.6887 |
| Topological Polar Surface Area | 98.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 449.09668 |
| Heavy Atoms | 30 |
| Complexity | 881.3816 |
Chemical Identifiers
| CAS Number | 84856-30-4 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=CC=C1OC(=O)CNC(=O)C(C)SC(=O)C2=CC=CS2 |
Product Overview
Butyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate (CAS 84856-30-4), with molecular formula C21H23NO6S2 and molecular weight 449.10 g/mol. IUPAC: butyl 2-[2-[2-(thiophene-2-carbonylsulfanyl)propanoylamino]acetyl]oxybenzoate.
Chemical Property Profile of Butyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate
Property Insights of Butyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate
The XLogP value of 3.6887 indicates that Butyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate. Following Lipinski's Rule of Five, Butyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate has 1 hydrogen bond donor(s) and 8 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 Butyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate?
The CAS number of Butyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate is 84856-30-4.
What is the molecular formula of Butyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate?
The molecular formula of Butyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate is C21H23NO6S2.
What is the molecular weight of Butyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate?
The molecular weight of Butyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate is 449.10 g/mol.
Where can I buy Butyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate?
You can request a quote for Butyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.