Carbamic acid, ((dibutylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-3-oxo-7-benzofuranyl ester
TL;DR: Carbamic acid, ((dibutylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-3-oxo-7-benzofuranyl ester (CAS 83333-19-1) is a chemical compound with molecular formula C20H30N2O4S and molecular weight 394.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2-dimethyl-3-oxo-1-benzofuran-7-yl) N-(dibutylamino)sulfanyl-N-methylcarbamate
Also Known As: Carbamic acid, ((dibutylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-3-oxo-7-benzofuranyl ester, (2,2-dimethyl-3-oxo-1-benzofuran-7-yl) N-(dibutylamino)sulfanyl-N-methylcarbamate, (2,2-dimethyl-3-oxo-benzofuran-7-yl) N-(dibutylamino)sulfanyl-N-methyl-carbamate, 2,2-Dimethyl-3-oxo-2,3-dihydro-1-benzofuran-7-yl [(dibutylamino)sulfanyl](methyl)carbamate, 2,2-Dimethyl-3-oxo-2,3-dihydro-1-benzofuran-7-yl [(dibutylamino)sulfanyl]methylcarbamate
| Molecular Formula | C20H30N2O4S |
|---|---|
| Molecular Weight | 394.19 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 84.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 394.19263 |
| Heavy Atoms | 27 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 83333-19-1 |
|---|---|
| SMILES | CCCCN(CCCC)SN(C)C(=O)OC1=CC=CC2=C1OC(C2=O)(C)C |
| InChIKey | LYOIJQLQVIQEJI-UHFFFAOYSA-N |
Product Overview
Carbamic acid, ((dibutylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-3-oxo-7-benzofuranyl ester (CAS 83333-19-1), with molecular formula C20H30N2O4S and molecular weight 394.19 g/mol. IUPAC: (2,2-dimethyl-3-oxo-1-benzofuran-7-yl) N-(dibutylamino)sulfanyl-N-methylcarbamate.
Chemical Property Profile of Carbamic acid, ((dibutylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-3-oxo-7-benzofuranyl ester
Property Insights of Carbamic acid, ((dibutylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-3-oxo-7-benzofuranyl ester
The XLogP value of 5.0 indicates that Carbamic acid, ((dibutylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-3-oxo-7-benzofuranyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, ((dibutylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-3-oxo-7-benzofuranyl ester. Following Lipinski's Rule of Five, Carbamic acid, ((dibutylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-3-oxo-7-benzofuranyl 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 Carbamic acid, ((dibutylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-3-oxo-7-benzofuranyl ester?
The CAS number of Carbamic acid, ((dibutylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-3-oxo-7-benzofuranyl ester is 83333-19-1.
What is the molecular formula of Carbamic acid, ((dibutylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-3-oxo-7-benzofuranyl ester?
The molecular formula of Carbamic acid, ((dibutylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-3-oxo-7-benzofuranyl ester is C20H30N2O4S.
What is the molecular weight of Carbamic acid, ((dibutylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-3-oxo-7-benzofuranyl ester?
The molecular weight of Carbamic acid, ((dibutylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-3-oxo-7-benzofuranyl ester is 394.19 g/mol.
Where can I buy Carbamic acid, ((dibutylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-3-oxo-7-benzofuranyl ester?
You can request a quote for Carbamic acid, ((dibutylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-3-oxo-7-benzofuranyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, ((dibutylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-3-oxo-7-benzofuranyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, ((dibutylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-3-oxo-7-benzofuranyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.