![ethyl 2-[(tert-butoxycarbonyl)amino]-3-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}propanoate structure](/static/products/1101/1101162-97-3.webp)
ethyl 2-[(tert-butoxycarbonyl)amino]-3-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}propanoate
TL;DR: ethyl 2-[(tert-butoxycarbonyl)amino]-3-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}propanoate (CAS 1101162-97-3) is a chemical compound with molecular formula C18H23Cl2NO5S and molecular weight 435.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Also Known As: ethyl 2-[(tert-butoxycarbonyl)amino]-3-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}propanoate, ethyl 3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate, ethyl 2-{[(tert-butoxy)carbonyl]amino}-3-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}propanoate, ethyl2-{[(tert-butoxy)carbonyl]amino}-3-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}propanoate
| Molecular Formula | C18H23Cl2NO5S |
|---|---|
| Molecular Weight | 435.07 g/mol |
| LogP | 4.3657 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 435.0674 |
| Heavy Atoms | 27 |
| Complexity | 690.8198 |
Chemical Identifiers
| CAS Number | 1101162-97-3 |
|---|---|
| SMILES | CCOC(=O)C(CSCC(=O)C1=C(C=C(C=C1)Cl)Cl)NC(=O)OC(C)(C)C |
Product Overview
ethyl 2-[(tert-butoxycarbonyl)amino]-3-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}propanoate (CAS 1101162-97-3), with molecular formula C18H23Cl2NO5S and molecular weight 435.07 g/mol. IUPAC: ethyl 3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
Chemical Property Profile of ethyl 2-[(tert-butoxycarbonyl)amino]-3-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}propanoate
Property Insights of ethyl 2-[(tert-butoxycarbonyl)amino]-3-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}propanoate
The XLogP value of 4.3657 indicates that ethyl 2-[(tert-butoxycarbonyl)amino]-3-{[2-(2,4-dichlorophenyl)-2-oxoethyl]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-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}propanoate. Following Lipinski's Rule of Five, ethyl 2-[(tert-butoxycarbonyl)amino]-3-{[2-(2,4-dichlorophenyl)-2-oxoethyl]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-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}propanoate?
The CAS number of ethyl 2-[(tert-butoxycarbonyl)amino]-3-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}propanoate is 1101162-97-3.
What is the molecular formula of ethyl 2-[(tert-butoxycarbonyl)amino]-3-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}propanoate?
The molecular formula of ethyl 2-[(tert-butoxycarbonyl)amino]-3-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}propanoate is C18H23Cl2NO5S.
What is the molecular weight of ethyl 2-[(tert-butoxycarbonyl)amino]-3-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}propanoate?
The molecular weight of ethyl 2-[(tert-butoxycarbonyl)amino]-3-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}propanoate is 435.07 g/mol.
Where can I buy ethyl 2-[(tert-butoxycarbonyl)amino]-3-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}propanoate?
You can request a quote for ethyl 2-[(tert-butoxycarbonyl)amino]-3-{[2-(2,4-dichlorophenyl)-2-oxoethyl]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-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[(tert-butoxycarbonyl)amino]-3-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.