![ETHYL 2-[(1-ETHOXYCARBONYL-3-METHYLSULFANYL-PROPYL)CARBAMOYLAMINO]-4-METHYLSULFANYL-BUTANOATE structure](/static/products/7077/70779-91-8.webp)
ETHYL 2-[(1-ETHOXYCARBONYL-3-METHYLSULFANYL-PROPYL)CARBAMOYLAMINO]-4-METHYLSULFANYL-BUTANOATE
TL;DR: ETHYL 2-[(1-ETHOXYCARBONYL-3-METHYLSULFANYL-PROPYL)CARBAMOYLAMINO]-4-METHYLSULFANYL-BUTANOATE (CAS 70779-91-8) is a chemical compound with molecular formula C15H28N2O5S2 and molecular weight 380.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(1-ethoxy-4-methylsulfanyl-1-oxobutan-2-yl)carbamoylamino]-4-methylsulfanylbutanoate
Also Known As: ETHYL 2-[(1-ETHOXYCARBONYL-3-METHYLSULFANYL-PROPYL)CARBAMOYLAMINO]-4-METHYLSULFANYL-BUTANOATE, Diethyl 7-oxo-2,12-dithia-6,8-diazatridecane-5,9-dicarboxylate, ethyl 2-[(1-ethoxy-4-methylsulfanyl-1-oxobutan-2-yl)carbamoylamino]-4-methylsulfanylbutanoate
| Molecular Formula | C15H28N2O5S2 |
|---|---|
| Molecular Weight | 380.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 380.14395 |
| Heavy Atoms | 24 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 70779-91-8 |
|---|---|
| SMILES | CCOC(=O)C(CCSC)NC(=O)NC(CCSC)C(=O)OCC |
| InChIKey | WIIOAPMJYZBGRI-UHFFFAOYSA-N |
Product Overview
ETHYL 2-[(1-ETHOXYCARBONYL-3-METHYLSULFANYL-PROPYL)CARBAMOYLAMINO]-4-METHYLSULFANYL-BUTANOATE (CAS 70779-91-8), with molecular formula C15H28N2O5S2 and molecular weight 380.14 g/mol. IUPAC: ethyl 2-[(1-ethoxy-4-methylsulfanyl-1-oxobutan-2-yl)carbamoylamino]-4-methylsulfanylbutanoate.
Chemical Property Profile of ETHYL 2-[(1-ETHOXYCARBONYL-3-METHYLSULFANYL-PROPYL)CARBAMOYLAMINO]-4-METHYLSULFANYL-BUTANOATE
Property Insights of ETHYL 2-[(1-ETHOXYCARBONYL-3-METHYLSULFANYL-PROPYL)CARBAMOYLAMINO]-4-METHYLSULFANYL-BUTANOATE
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ETHYL 2-[(1-ETHOXYCARBONYL-3-METHYLSULFANYL-PROPYL)CARBAMOYLAMINO]-4-METHYLSULFANYL-BUTANOATE. The TPSA of 144.0 Ų indicates high polarity, suggesting ETHYL 2-[(1-ETHOXYCARBONYL-3-METHYLSULFANYL-PROPYL)CARBAMOYLAMINO]-4-METHYLSULFANYL-BUTANOATE may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ETHYL 2-[(1-ETHOXYCARBONYL-3-METHYLSULFANYL-PROPYL)CARBAMOYLAMINO]-4-METHYLSULFANYL-BUTANOATE has 2 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 ETHYL 2-[(1-ETHOXYCARBONYL-3-METHYLSULFANYL-PROPYL)CARBAMOYLAMINO]-4-METHYLSULFANYL-BUTANOATE?
The CAS number of ETHYL 2-[(1-ETHOXYCARBONYL-3-METHYLSULFANYL-PROPYL)CARBAMOYLAMINO]-4-METHYLSULFANYL-BUTANOATE is 70779-91-8.
What is the molecular formula of ETHYL 2-[(1-ETHOXYCARBONYL-3-METHYLSULFANYL-PROPYL)CARBAMOYLAMINO]-4-METHYLSULFANYL-BUTANOATE?
The molecular formula of ETHYL 2-[(1-ETHOXYCARBONYL-3-METHYLSULFANYL-PROPYL)CARBAMOYLAMINO]-4-METHYLSULFANYL-BUTANOATE is C15H28N2O5S2.
What is the molecular weight of ETHYL 2-[(1-ETHOXYCARBONYL-3-METHYLSULFANYL-PROPYL)CARBAMOYLAMINO]-4-METHYLSULFANYL-BUTANOATE?
The molecular weight of ETHYL 2-[(1-ETHOXYCARBONYL-3-METHYLSULFANYL-PROPYL)CARBAMOYLAMINO]-4-METHYLSULFANYL-BUTANOATE is 380.14 g/mol.
Where can I buy ETHYL 2-[(1-ETHOXYCARBONYL-3-METHYLSULFANYL-PROPYL)CARBAMOYLAMINO]-4-METHYLSULFANYL-BUTANOATE?
You can request a quote for ETHYL 2-[(1-ETHOXYCARBONYL-3-METHYLSULFANYL-PROPYL)CARBAMOYLAMINO]-4-METHYLSULFANYL-BUTANOATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ETHYL 2-[(1-ETHOXYCARBONYL-3-METHYLSULFANYL-PROPYL)CARBAMOYLAMINO]-4-METHYLSULFANYL-BUTANOATE?
Yes, KEHONG BIO provides custom synthesis services for ETHYL 2-[(1-ETHOXYCARBONYL-3-METHYLSULFANYL-PROPYL)CARBAMOYLAMINO]-4-METHYLSULFANYL-BUTANOATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.