Butanedioic acid, 2-(((diethylamino)thioxomethyl)thio)-, 1,4-dibutyl ester
TL;DR: Butanedioic acid, 2-(((diethylamino)thioxomethyl)thio)-, 1,4-dibutyl ester (CAS 70715-09-2) is a chemical compound with molecular formula C17H31NO4S2 and molecular weight 377.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutyl 2-(diethylcarbamothioylsulfanyl)butanedioate
Also Known As: Dibutyl (((diethylamino)thioxomethyl)thio)succinate, dibutyl(((diethylamino)thioxomethyl)thio)succinate, DIBUTYL [[(DIETHYLAMINO)THIOXOMETHYL]THIO]SUCCINATE, dibutyl 2-(diethylcarbamothioylsulfanyl)butanedioate, N,N-Diethylcarbamodithioic acid, S-(1,2-dicarbobutoxyethyl) ester
| Molecular Formula | C17H31NO4S2 |
|---|---|
| Molecular Weight | 377.17 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 377.16946 |
| Heavy Atoms | 24 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 70715-09-2 |
|---|---|
| SMILES | CCCCOC(=O)CC(C(=O)OCCCC)SC(=S)N(CC)CC |
| InChIKey | PWMKDAYGQYJJMT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanedioic acid, 2-(((diethylamino)thioxomethyl)thio)-, 1,4-dibutyl ester (CAS 70715-09-2), with molecular formula C17H31NO4S2 and molecular weight 377.17 g/mol. IUPAC: dibutyl 2-(diethylcarbamothioylsulfanyl)butanedioate.
Chemical Property Profile of Butanedioic acid, 2-(((diethylamino)thioxomethyl)thio)-, 1,4-dibutyl ester
Property Insights of Butanedioic acid, 2-(((diethylamino)thioxomethyl)thio)-, 1,4-dibutyl ester
The XLogP value of 4.3 indicates that Butanedioic acid, 2-(((diethylamino)thioxomethyl)thio)-, 1,4-dibutyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanedioic acid, 2-(((diethylamino)thioxomethyl)thio)-, 1,4-dibutyl ester. Following Lipinski's Rule of Five, Butanedioic acid, 2-(((diethylamino)thioxomethyl)thio)-, 1,4-dibutyl ester has 0 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 Butanedioic acid, 2-(((diethylamino)thioxomethyl)thio)-, 1,4-dibutyl ester?
The CAS number of Butanedioic acid, 2-(((diethylamino)thioxomethyl)thio)-, 1,4-dibutyl ester is 70715-09-2.
What is the molecular formula of Butanedioic acid, 2-(((diethylamino)thioxomethyl)thio)-, 1,4-dibutyl ester?
The molecular formula of Butanedioic acid, 2-(((diethylamino)thioxomethyl)thio)-, 1,4-dibutyl ester is C17H31NO4S2.
What is the molecular weight of Butanedioic acid, 2-(((diethylamino)thioxomethyl)thio)-, 1,4-dibutyl ester?
The molecular weight of Butanedioic acid, 2-(((diethylamino)thioxomethyl)thio)-, 1,4-dibutyl ester is 377.17 g/mol.
Where can I buy Butanedioic acid, 2-(((diethylamino)thioxomethyl)thio)-, 1,4-dibutyl ester?
You can request a quote for Butanedioic acid, 2-(((diethylamino)thioxomethyl)thio)-, 1,4-dibutyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanedioic acid, 2-(((diethylamino)thioxomethyl)thio)-, 1,4-dibutyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, 2-(((diethylamino)thioxomethyl)thio)-, 1,4-dibutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.