Carbamodithioic acid, (3-(bis(2-methylpropyl)amino)-1,3-dioxopropyl)-, ethyl ester
TL;DR: Carbamodithioic acid, (3-(bis(2-methylpropyl)amino)-1,3-dioxopropyl)-, ethyl ester (CAS 178408-08-7) is a chemical compound with molecular formula C14H26N2O2S2 and molecular weight 318.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[3-[bis(2-methylpropyl)amino]-3-oxopropanoyl]carbamodithioate
Also Known As: Carbamodithioic acid, (3-(bis(2-methylpropyl)amino)-1,3-dioxopropyl)-, ethyl ester, Ethyl (3-(bis(2-methylpropyl)amino)-1,3-dioxopropyl)carbamodithioate, Ethyl 3-(diisobutylamino)-3-oxopropanoyldithiocarbamate, Ethyl 3-(diisobutylamino)-3-oxopropanoyldithiocarbamate #, Ethyl {3-[bis(2-methylpropyl)amino]-3-oxopropanoyl}carbamodithioate
| Molecular Formula | C14H26N2O2S2 |
|---|---|
| Molecular Weight | 318.14 g/mol |
| LogP | 2.6713 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 318.1436 |
| Heavy Atoms | 20 |
| Complexity | 334.0656 |
Chemical Identifiers
| CAS Number | 178408-08-7 |
|---|---|
| SMILES | CCSC(=S)NC(=O)CC(=O)N(CC(C)C)CC(C)C |
Product Overview
Carbamodithioic acid, (3-(bis(2-methylpropyl)amino)-1,3-dioxopropyl)-, ethyl ester (CAS 178408-08-7), with molecular formula C14H26N2O2S2 and molecular weight 318.14 g/mol. IUPAC: ethyl N-[3-[bis(2-methylpropyl)amino]-3-oxopropanoyl]carbamodithioate.
Chemical Property Profile of Carbamodithioic acid, (3-(bis(2-methylpropyl)amino)-1,3-dioxopropyl)-, ethyl ester
Property Insights of Carbamodithioic acid, (3-(bis(2-methylpropyl)amino)-1,3-dioxopropyl)-, ethyl ester
The XLogP value of 2.6713 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamodithioic acid, (3-(bis(2-methylpropyl)amino)-1,3-dioxopropyl)-, ethyl ester. With a topological polar surface area (TPSA) of 49.41 Ų, Carbamodithioic acid, (3-(bis(2-methylpropyl)amino)-1,3-dioxopropyl)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamodithioic acid, (3-(bis(2-methylpropyl)amino)-1,3-dioxopropyl)-, ethyl ester has 1 hydrogen bond donor(s) and 4 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 Carbamodithioic acid, (3-(bis(2-methylpropyl)amino)-1,3-dioxopropyl)-, ethyl ester?
The CAS number of Carbamodithioic acid, (3-(bis(2-methylpropyl)amino)-1,3-dioxopropyl)-, ethyl ester is 178408-08-7.
What is the molecular formula of Carbamodithioic acid, (3-(bis(2-methylpropyl)amino)-1,3-dioxopropyl)-, ethyl ester?
The molecular formula of Carbamodithioic acid, (3-(bis(2-methylpropyl)amino)-1,3-dioxopropyl)-, ethyl ester is C14H26N2O2S2.
What is the molecular weight of Carbamodithioic acid, (3-(bis(2-methylpropyl)amino)-1,3-dioxopropyl)-, ethyl ester?
The molecular weight of Carbamodithioic acid, (3-(bis(2-methylpropyl)amino)-1,3-dioxopropyl)-, ethyl ester is 318.14 g/mol.
Where can I buy Carbamodithioic acid, (3-(bis(2-methylpropyl)amino)-1,3-dioxopropyl)-, ethyl ester?
You can request a quote for Carbamodithioic acid, (3-(bis(2-methylpropyl)amino)-1,3-dioxopropyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamodithioic acid, (3-(bis(2-methylpropyl)amino)-1,3-dioxopropyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamodithioic acid, (3-(bis(2-methylpropyl)amino)-1,3-dioxopropyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.