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Ethyl 2-{[(benzyloxy)carbonyl]amino}-3-sulfanylpropanoate
TL;DR: Ethyl 2-{[(benzyloxy)carbonyl]amino}-3-sulfanylpropanoate (CAS 1396979-03-5) is a chemical compound with molecular formula C13H17NO4S and molecular weight 283.08783 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(phenylmethoxycarbonylamino)-3-sulfanylpropanoate
Also Known As: ethyl 2-{[(benzyloxy)carbonyl]amino}-3-sulfanylpropanoate, ethyl 2-(phenylmethoxycarbonylamino)-3-sulfanylpropanoate, 11P-086, ethyl 2-(benzyloxycarbonylamino)-3-sulfanyl-propanoate, Ethyl 2-{(benzyloxy)carbonylamino}-3-sulfanylpropanoate
Technical Specifications
| Molecular Formula | C13H17NO4S |
| Molecular Weight | 283.08783 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 65.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 283.08783 Da |
| Heavy Atoms | 19 |
| Complexity | 292.0 |
| SMILES | CCOC(=O)C(CS)NC(=O)OCC1=CC=CC=C1 |
| InChIKey | IWZJZGRUIZUKJJ-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-{[(benzyloxy)carbonyl]amino}-3-sulfanylpropanoate
Property Insights of Ethyl 2-{[(benzyloxy)carbonyl]amino}-3-sulfanylpropanoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-{[(benzyloxy)carbonyl]amino}-3-sulfanylpropanoate. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-{[(benzyloxy)carbonyl]amino}-3-sulfanylpropanoate. Following Lipinski's Rule of Five, Ethyl 2-{[(benzyloxy)carbonyl]amino}-3-sulfanylpropanoate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 2-{[(benzyloxy)carbonyl]amino}-3-sulfanylpropanoate?
The CAS number of Ethyl 2-{[(benzyloxy)carbonyl]amino}-3-sulfanylpropanoate is 1396979-03-5.
What is the molecular formula of Ethyl 2-{[(benzyloxy)carbonyl]amino}-3-sulfanylpropanoate?
The molecular formula of Ethyl 2-{[(benzyloxy)carbonyl]amino}-3-sulfanylpropanoate is C13H17NO4S.
What is the molecular weight of Ethyl 2-{[(benzyloxy)carbonyl]amino}-3-sulfanylpropanoate?
The molecular weight of Ethyl 2-{[(benzyloxy)carbonyl]amino}-3-sulfanylpropanoate is 283.08783 g/mol.
Where can I buy Ethyl 2-{[(benzyloxy)carbonyl]amino}-3-sulfanylpropanoate?
You can request a quote for Ethyl 2-{[(benzyloxy)carbonyl]amino}-3-sulfanylpropanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-{[(benzyloxy)carbonyl]amino}-3-sulfanylpropanoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-{[(benzyloxy)carbonyl]amino}-3-sulfanylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.