1-(2-Thienylcarbonyl)-L-proline 2-(3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl)-2-oxoethyl ester
TL;DR: 1-(2-Thienylcarbonyl)-L-proline 2-(3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl)-2-oxoethyl ester (CAS 385370-83-2) is a chemical compound with molecular formula C20H18N2O6S and molecular weight 414.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
Also Known As: 1-(2-Thienylcarbonyl)-L-proline 2-(3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl)-2-oxoethyl ester, [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate, 2-Oxo-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl 1-(thiophene-2-carbonyl)-L-prolinate
| Molecular Formula | C20H18N2O6S |
|---|---|
| Molecular Weight | 414.09 g/mol |
| LogP | 2.1097 |
| Topological Polar Surface Area | 102.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.08856 |
| Heavy Atoms | 29 |
| Complexity | 971.35596 |
Chemical Identifiers
| CAS Number | 385370-83-2 |
|---|---|
| SMILES | C1C[C@H](N(C1)C(=O)C2=CC=CS2)C(=O)OCC(=O)C3=CC4=C(C=C3)OCC(=O)N4 |
Product Overview
1-(2-Thienylcarbonyl)-L-proline 2-(3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl)-2-oxoethyl ester (CAS 385370-83-2), with molecular formula C20H18N2O6S and molecular weight 414.09 g/mol. IUPAC: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate.
Chemical Property Profile of 1-(2-Thienylcarbonyl)-L-proline 2-(3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl)-2-oxoethyl ester
Property Insights of 1-(2-Thienylcarbonyl)-L-proline 2-(3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl)-2-oxoethyl ester
The XLogP value of 2.1097 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Thienylcarbonyl)-L-proline 2-(3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl)-2-oxoethyl ester. The TPSA of 102.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Thienylcarbonyl)-L-proline 2-(3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl)-2-oxoethyl ester. Following Lipinski's Rule of Five, 1-(2-Thienylcarbonyl)-L-proline 2-(3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl)-2-oxoethyl ester has 1 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 1-(2-Thienylcarbonyl)-L-proline 2-(3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl)-2-oxoethyl ester?
The CAS number of 1-(2-Thienylcarbonyl)-L-proline 2-(3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl)-2-oxoethyl ester is 385370-83-2.
What is the molecular formula of 1-(2-Thienylcarbonyl)-L-proline 2-(3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl)-2-oxoethyl ester?
The molecular formula of 1-(2-Thienylcarbonyl)-L-proline 2-(3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl)-2-oxoethyl ester is C20H18N2O6S.
What is the molecular weight of 1-(2-Thienylcarbonyl)-L-proline 2-(3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl)-2-oxoethyl ester?
The molecular weight of 1-(2-Thienylcarbonyl)-L-proline 2-(3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl)-2-oxoethyl ester is 414.09 g/mol.
Where can I buy 1-(2-Thienylcarbonyl)-L-proline 2-(3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl)-2-oxoethyl ester?
You can request a quote for 1-(2-Thienylcarbonyl)-L-proline 2-(3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl)-2-oxoethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Thienylcarbonyl)-L-proline 2-(3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl)-2-oxoethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Thienylcarbonyl)-L-proline 2-(3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl)-2-oxoethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.