2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl (ethoxysulfanyl)methylcarbamate
TL;DR: 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl (ethoxysulfanyl)methylcarbamate (CAS 86627-63-6) is a chemical compound with molecular formula C14H19NO4S and molecular weight 297.10 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-ethoxysulfanyl-N-methylcarbamate
Also Known As: Carbamic acid, (ethoxythio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester, (Ethoxythio)methylcarbamic acid 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester, 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl (ethoxysulfanyl)methylcarbamate, 2,3-Dihydro-2,2-dimethyl-7-benzofuranyl (ethoxysulfenyl)(methyl)carbamate, (2,2-dimethyl-3H-1-benzofuran-7-yl) N-ethoxysulfanyl-N-methylcarbamate
| Molecular Formula | C14H19NO4S |
|---|---|
| Molecular Weight | 297.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 73.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.1035 |
| Heavy Atoms | 20 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 86627-63-6 |
|---|---|
| SMILES | CCOSN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C |
| InChIKey | CTJNNPVEDDHSSW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl (ethoxysulfanyl)methylcarbamate (CAS 86627-63-6), with molecular formula C14H19NO4S and molecular weight 297.10 g/mol. IUPAC: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-ethoxysulfanyl-N-methylcarbamate.
Chemical Property Profile of 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl (ethoxysulfanyl)methylcarbamate
Property Insights of 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl (ethoxysulfanyl)methylcarbamate
The XLogP value of 3.4 indicates that 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl (ethoxysulfanyl)methylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl (ethoxysulfanyl)methylcarbamate. Following Lipinski's Rule of Five, 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl (ethoxysulfanyl)methylcarbamate has 0 hydrogen bond donor(s) and 5 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 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl (ethoxysulfanyl)methylcarbamate?
The CAS number of 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl (ethoxysulfanyl)methylcarbamate is 86627-63-6.
What is the molecular formula of 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl (ethoxysulfanyl)methylcarbamate?
The molecular formula of 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl (ethoxysulfanyl)methylcarbamate is C14H19NO4S.
What is the molecular weight of 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl (ethoxysulfanyl)methylcarbamate?
The molecular weight of 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl (ethoxysulfanyl)methylcarbamate is 297.10 g/mol.
Where can I buy 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl (ethoxysulfanyl)methylcarbamate?
You can request a quote for 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl (ethoxysulfanyl)methylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl (ethoxysulfanyl)methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl (ethoxysulfanyl)methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.