![Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(3,5-dichlorobenzoyl)sulfanyl]propanoate structure](/static/products/1192/1192667-96-1.webp)
Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(3,5-dichlorobenzoyl)sulfanyl]propanoate
TL;DR: Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(3,5-dichlorobenzoyl)sulfanyl]propanoate (CAS 1192667-96-1) is a chemical compound with molecular formula C17H21Cl2NO5S and molecular weight 421.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(3,5-dichlorobenzoyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Also Known As: ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(3,5-dichlorobenzoyl)sulfanyl]propanoate, 10P-144, Ethyl 3-(3,5-dichlorobenzoyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate, ethyl 2-{[(tert-butoxy)carbonyl]amino}-3-(3,5-dichlorobenzoylsulfanyl)propanoate, ethyl2-{[(tert-butoxy)carbonyl]amino}-3-(3,5-dichlorobenzoylsulfanyl)propanoate
| Molecular Formula | C17H21Cl2NO5S |
|---|---|
| Molecular Weight | 421.05 g/mol |
| LogP | 4.3232 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.05176 |
| Heavy Atoms | 26 |
| Complexity | 655.35736 |
Chemical Identifiers
| CAS Number | 1192667-96-1 |
|---|---|
| SMILES | CCOC(=O)C(CSC(=O)C1=CC(=CC(=C1)Cl)Cl)NC(=O)OC(C)(C)C |
Product Overview
Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(3,5-dichlorobenzoyl)sulfanyl]propanoate (CAS 1192667-96-1), with molecular formula C17H21Cl2NO5S and molecular weight 421.05 g/mol. IUPAC: ethyl 3-(3,5-dichlorobenzoyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
Chemical Property Profile of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(3,5-dichlorobenzoyl)sulfanyl]propanoate
Property Insights of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(3,5-dichlorobenzoyl)sulfanyl]propanoate
The XLogP value of 4.3232 indicates that Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(3,5-dichlorobenzoyl)sulfanyl]propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(3,5-dichlorobenzoyl)sulfanyl]propanoate. Following Lipinski's Rule of Five, Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(3,5-dichlorobenzoyl)sulfanyl]propanoate has 1 hydrogen bond donor(s) and 6 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 Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(3,5-dichlorobenzoyl)sulfanyl]propanoate?
The CAS number of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(3,5-dichlorobenzoyl)sulfanyl]propanoate is 1192667-96-1.
What is the molecular formula of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(3,5-dichlorobenzoyl)sulfanyl]propanoate?
The molecular formula of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(3,5-dichlorobenzoyl)sulfanyl]propanoate is C17H21Cl2NO5S.
What is the molecular weight of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(3,5-dichlorobenzoyl)sulfanyl]propanoate?
The molecular weight of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(3,5-dichlorobenzoyl)sulfanyl]propanoate is 421.05 g/mol.
Where can I buy Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(3,5-dichlorobenzoyl)sulfanyl]propanoate?
You can request a quote for Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(3,5-dichlorobenzoyl)sulfanyl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(3,5-dichlorobenzoyl)sulfanyl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(3,5-dichlorobenzoyl)sulfanyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.