Methyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate
TL;DR: Methyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate (CAS 84856-31-5) is a chemical compound with molecular formula C18H17NO6S2 and molecular weight 407.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-[2-(thiophene-2-carbonylsulfanyl)propanoylamino]acetyl]oxybenzoate
Also Known As: Methyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate, N-(1-Oxo-2-((2-thienylcarbonyl)thio)propyl)glycine 4-(methoxycarbonyl)phenyl ester, Glycine, N-(1-oxo-2-((2-thienylcarbonyl)thio)propyl)-, 4-(methoxycarbonyl)phenyl ester, methyl 2-[2-[2-(thiophene-2-carbonylsulfanyl)propanoylamino]acetyl]oxybenzoate, N-{2-[2-(Methoxycarbonyl)phenoxy]-2-oxoethyl}-2-[(thiophene-2-carbonyl)sulfanyl]propanimidic acid
| Molecular Formula | C18H17NO6S2 |
|---|---|
| Molecular Weight | 407.05 g/mol |
| LogP | 2.5184 |
| Topological Polar Surface Area | 98.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 407.04974 |
| Heavy Atoms | 27 |
| Complexity | 834.1372 |
Chemical Identifiers
| CAS Number | 84856-31-5 |
|---|---|
| SMILES | CC(C(=O)NCC(=O)OC1=CC=CC=C1C(=O)OC)SC(=O)C2=CC=CS2 |
Product Overview
Methyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate (CAS 84856-31-5), with molecular formula C18H17NO6S2 and molecular weight 407.05 g/mol. IUPAC: methyl 2-[2-[2-(thiophene-2-carbonylsulfanyl)propanoylamino]acetyl]oxybenzoate.
Chemical Property Profile of Methyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate
Property Insights of Methyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate
The XLogP value of 2.5184 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate. The TPSA of 98.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate. Following Lipinski's Rule of Five, Methyl 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 Methyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate?
The CAS number of Methyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate is 84856-31-5.
What is the molecular formula of Methyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate?
The molecular formula of Methyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate is C18H17NO6S2.
What is the molecular weight of Methyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate?
The molecular weight of Methyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate is 407.05 g/mol.
Where can I buy Methyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate?
You can request a quote for Methyl 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 Methyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.