2,3-Dihydro-2,2-dimethyl-7-benzofuranyl methyl(4-morpholinylthio)carbamate
TL;DR: 2,3-Dihydro-2,2-dimethyl-7-benzofuranyl methyl(4-morpholinylthio)carbamate (CAS 55285-05-7) is a chemical compound with molecular formula C16H22N2O4S and molecular weight 338.13 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-methyl-N-morpholin-4-ylsulfanylcarbamate
Also Known As: N-(Morpholinosulfenyl)carbofuran, 2,3-Dihydro-2,2-dimethyl-7-benzofuranyl methyl(4-morpholinylthio)carbamate, 2,3-Dihydro-2,2-dimethyl-7-benzofuranyl(methyl)(morpholinosulfenyl)carbamate, Carbamic acid, N-methyl-N-(morpholinothio)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester, N-Methyl-N-(morpholinothio)carbamic acid 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
| Molecular Formula | C16H22N2O4S |
|---|---|
| Molecular Weight | 338.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 76.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.13004 |
| Heavy Atoms | 23 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 55285-05-7 |
|---|---|
| SMILES | CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)SN3CCOCC3)C |
| InChIKey | KISOXJQGSGASFJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Dihydro-2,2-dimethyl-7-benzofuranyl methyl(4-morpholinylthio)carbamate (CAS 55285-05-7), with molecular formula C16H22N2O4S and molecular weight 338.13 g/mol. IUPAC: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-morpholin-4-ylsulfanylcarbamate.
Chemical Property Profile of 2,3-Dihydro-2,2-dimethyl-7-benzofuranyl methyl(4-morpholinylthio)carbamate
Property Insights of 2,3-Dihydro-2,2-dimethyl-7-benzofuranyl methyl(4-morpholinylthio)carbamate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dihydro-2,2-dimethyl-7-benzofuranyl methyl(4-morpholinylthio)carbamate. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dihydro-2,2-dimethyl-7-benzofuranyl methyl(4-morpholinylthio)carbamate. Following Lipinski's Rule of Five, 2,3-Dihydro-2,2-dimethyl-7-benzofuranyl methyl(4-morpholinylthio)carbamate 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 2,3-Dihydro-2,2-dimethyl-7-benzofuranyl methyl(4-morpholinylthio)carbamate?
The CAS number of 2,3-Dihydro-2,2-dimethyl-7-benzofuranyl methyl(4-morpholinylthio)carbamate is 55285-05-7.
What is the molecular formula of 2,3-Dihydro-2,2-dimethyl-7-benzofuranyl methyl(4-morpholinylthio)carbamate?
The molecular formula of 2,3-Dihydro-2,2-dimethyl-7-benzofuranyl methyl(4-morpholinylthio)carbamate is C16H22N2O4S.
What is the molecular weight of 2,3-Dihydro-2,2-dimethyl-7-benzofuranyl methyl(4-morpholinylthio)carbamate?
The molecular weight of 2,3-Dihydro-2,2-dimethyl-7-benzofuranyl methyl(4-morpholinylthio)carbamate is 338.13 g/mol.
Where can I buy 2,3-Dihydro-2,2-dimethyl-7-benzofuranyl methyl(4-morpholinylthio)carbamate?
You can request a quote for 2,3-Dihydro-2,2-dimethyl-7-benzofuranyl methyl(4-morpholinylthio)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dihydro-2,2-dimethyl-7-benzofuranyl methyl(4-morpholinylthio)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dihydro-2,2-dimethyl-7-benzofuranyl methyl(4-morpholinylthio)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.