Carbamodithioic acid, dibutyl-, 3-oxo-1,3-diphenyl-1-propenyl ester
TL;DR: Carbamodithioic acid, dibutyl-, 3-oxo-1,3-diphenyl-1-propenyl ester (CAS 106110-65-0) is a chemical compound with molecular formula C24H29NOS2 and molecular weight 411.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-3-oxo-1,3-diphenylprop-1-enyl] N,N-dibutylcarbamodithioate
Also Known As: Dibutylcarbamodithioic acid 3-oxo-1,3-diphenyl-1-propenyl ester, 1,3-Diphenyl-1-(N,N-dibutyldithiocarbamoyl)-1-propen-3-one, CARBAMODITHIOIC ACID, DIBUTYL-, 3-OXO-1,3-DIPHENYL-1-PROPENYL ESTER, [(E)-3-oxo-1,3-diphenylprop-1-enyl] N,N-dibutylcarbamodithioate, RefChem:1081007
| Molecular Formula | C24H29NOS2 |
|---|---|
| Molecular Weight | 411.17 g/mol |
| LogP | 6.8307 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 411.16907 |
| Heavy Atoms | 28 |
| Complexity | 763.70685 |
Chemical Identifiers
| CAS Number | 106110-65-0 |
|---|---|
| SMILES | CCCCN(CCCC)C(=S)S/C(=C/C(=O)C1=CC=CC=C1)/C2=CC=CC=C2 |
Product Overview
Carbamodithioic acid, dibutyl-, 3-oxo-1,3-diphenyl-1-propenyl ester (CAS 106110-65-0), with molecular formula C24H29NOS2 and molecular weight 411.17 g/mol. IUPAC: [(E)-3-oxo-1,3-diphenylprop-1-enyl] N,N-dibutylcarbamodithioate.
Chemical Property Profile of Carbamodithioic acid, dibutyl-, 3-oxo-1,3-diphenyl-1-propenyl ester
Property Insights of Carbamodithioic acid, dibutyl-, 3-oxo-1,3-diphenyl-1-propenyl ester
The XLogP value of 6.8307 indicates that Carbamodithioic acid, dibutyl-, 3-oxo-1,3-diphenyl-1-propenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, Carbamodithioic acid, dibutyl-, 3-oxo-1,3-diphenyl-1-propenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamodithioic acid, dibutyl-, 3-oxo-1,3-diphenyl-1-propenyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbamodithioic acid, dibutyl-, 3-oxo-1,3-diphenyl-1-propenyl ester?
The CAS number of Carbamodithioic acid, dibutyl-, 3-oxo-1,3-diphenyl-1-propenyl ester is 106110-65-0.
What is the molecular formula of Carbamodithioic acid, dibutyl-, 3-oxo-1,3-diphenyl-1-propenyl ester?
The molecular formula of Carbamodithioic acid, dibutyl-, 3-oxo-1,3-diphenyl-1-propenyl ester is C24H29NOS2.
What is the molecular weight of Carbamodithioic acid, dibutyl-, 3-oxo-1,3-diphenyl-1-propenyl ester?
The molecular weight of Carbamodithioic acid, dibutyl-, 3-oxo-1,3-diphenyl-1-propenyl ester is 411.17 g/mol.
Where can I buy Carbamodithioic acid, dibutyl-, 3-oxo-1,3-diphenyl-1-propenyl ester?
You can request a quote for Carbamodithioic acid, dibutyl-, 3-oxo-1,3-diphenyl-1-propenyl 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, dibutyl-, 3-oxo-1,3-diphenyl-1-propenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamodithioic acid, dibutyl-, 3-oxo-1,3-diphenyl-1-propenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.