Carbamic acid, (((2-cyanoethyl)cyclohexylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
TL;DR: Carbamic acid, (((2-cyanoethyl)cyclohexylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester (CAS 82560-76-7) is a chemical compound with molecular formula C21H29N3O3S and molecular weight 403.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-[2-cyanoethyl(cyclohexyl)amino]sulfanyl-N-methylcarbamate
Also Known As: Carbamic acid, (((2-cyanoethyl)cyclohexylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester, (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[2-cyanoethyl(cyclohexyl)amino]sulfanyl-N-methylcarbamate, (2,2-dimethyl-3H-benzofuran-7-yl) N-(2-cyanoethyl-cyclohexyl-amino)sulfanyl-N-methyl-carbamate, 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl {[(2-cyanoethyl)(cyclohexyl)amino]sulfanyl}(methyl)carbamate, RefChem:331633
| Molecular Formula | C21H29N3O3S |
|---|---|
| Molecular Weight | 403.19 g/mol |
| LogP | 4.94228 |
| Topological Polar Surface Area | 65.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.19296 |
| Heavy Atoms | 28 |
| Complexity | 740.9016 |
Chemical Identifiers
| CAS Number | 82560-76-7 |
|---|---|
| SMILES | CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)SN(CCC#N)C3CCCCC3)C |
Product Overview
Carbamic acid, (((2-cyanoethyl)cyclohexylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester (CAS 82560-76-7), with molecular formula C21H29N3O3S and molecular weight 403.19 g/mol. IUPAC: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[2-cyanoethyl(cyclohexyl)amino]sulfanyl-N-methylcarbamate.
Chemical Property Profile of Carbamic acid, (((2-cyanoethyl)cyclohexylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
Property Insights of Carbamic acid, (((2-cyanoethyl)cyclohexylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
The XLogP value of 4.94228 indicates that Carbamic acid, (((2-cyanoethyl)cyclohexylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, (((2-cyanoethyl)cyclohexylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester. Following Lipinski's Rule of Five, Carbamic acid, (((2-cyanoethyl)cyclohexylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-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, (((2-cyanoethyl)cyclohexylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester?
The CAS number of Carbamic acid, (((2-cyanoethyl)cyclohexylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester is 82560-76-7.
What is the molecular formula of Carbamic acid, (((2-cyanoethyl)cyclohexylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester?
The molecular formula of Carbamic acid, (((2-cyanoethyl)cyclohexylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester is C21H29N3O3S.
What is the molecular weight of Carbamic acid, (((2-cyanoethyl)cyclohexylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester?
The molecular weight of Carbamic acid, (((2-cyanoethyl)cyclohexylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester is 403.19 g/mol.
Where can I buy Carbamic acid, (((2-cyanoethyl)cyclohexylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester?
You can request a quote for Carbamic acid, (((2-cyanoethyl)cyclohexylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-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, (((2-cyanoethyl)cyclohexylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, (((2-cyanoethyl)cyclohexylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.