2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl heptyl sulfinylbis(methylcarbamate)
TL;DR: 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl heptyl sulfinylbis(methylcarbamate) (CAS 77248-39-6) is a chemical compound with molecular formula C21H32N2O6S and molecular weight 440.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylsulfinamoyl]-N-methylcarbamate
Also Known As: 6-Oxa-3-thia-2,4-diazatridecanoic acid, 2,4-dimethyl-5-oxo-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester, 3-oxide, 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl heptyl sulfinylbis(methylcarbamate), heptyl N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylsulfinamoyl]-N-methylcarbamate, (2,2-dimethyl-3H-1-benzofuran-7-yl) N-(heptoxycarbonyl-methylsulfinamoyl)-N-methylcarbamate, (2,2-dimethyl-3H-benzofuran-7-yl) N-(heptoxycarbonyl-methyl-sulfinamoyl)-N-methyl-carbamate
| Molecular Formula | C21H32N2O6S |
|---|---|
| Molecular Weight | 440.20 g/mol |
| LogP | 4.4482 |
| Topological Polar Surface Area | 85.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 440.19812 |
| Heavy Atoms | 30 |
| Complexity | 782.76013 |
Chemical Identifiers
| CAS Number | 77248-39-6 |
|---|---|
| SMILES | CCCCCCCOC(=O)N(C)S(=O)N(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C |
Product Overview
2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl heptyl sulfinylbis(methylcarbamate) (CAS 77248-39-6), with molecular formula C21H32N2O6S and molecular weight 440.20 g/mol. IUPAC: heptyl N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylsulfinamoyl]-N-methylcarbamate.
Chemical Property Profile of 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl heptyl sulfinylbis(methylcarbamate)
Property Insights of 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl heptyl sulfinylbis(methylcarbamate)
The XLogP value of 4.4482 indicates that 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl heptyl sulfinylbis(methylcarbamate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl heptyl sulfinylbis(methylcarbamate). Following Lipinski's Rule of Five, 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl heptyl sulfinylbis(methylcarbamate) 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 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl heptyl sulfinylbis(methylcarbamate)?
The CAS number of 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl heptyl sulfinylbis(methylcarbamate) is 77248-39-6.
What is the molecular formula of 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl heptyl sulfinylbis(methylcarbamate)?
The molecular formula of 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl heptyl sulfinylbis(methylcarbamate) is C21H32N2O6S.
What is the molecular weight of 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl heptyl sulfinylbis(methylcarbamate)?
The molecular weight of 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl heptyl sulfinylbis(methylcarbamate) is 440.20 g/mol.
Where can I buy 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl heptyl sulfinylbis(methylcarbamate)?
You can request a quote for 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl heptyl sulfinylbis(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 heptyl sulfinylbis(methylcarbamate)?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl heptyl sulfinylbis(methylcarbamate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.