2,3-Dihydro-2,2-dimethylbenzofuranyl-7-(methyl)(4-t-butylphenylthiosulfinyl)carbamate
TL;DR: 2,3-Dihydro-2,2-dimethylbenzofuranyl-7-(methyl)(4-t-butylphenylthiosulfinyl)carbamate (CAS 77267-57-3) is a chemical compound with molecular formula C22H27NO4S2 and molecular weight 433.14 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-(4-tert-butylphenyl)sulfanylsulfinyl-N-methylcarbamate
Also Known As: 2,3-Dihydro-2,2-dimethylbenzofuranyl-7-(methyl)(4-t-butylphenylthiosulfinyl)carbamate, Carbamic acid, (((4-(1,1-dimethylethyl)phenyl)thio)sulfinyl)methyl)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester, (2,2-dimethyl-3H-1-benzofuran-7-yl) N-(4-tert-butylphenyl)sulfanylsulfinyl-N-methylcarbamate, 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl {[(4-tert-butylphenyl)sulfanyl]sulfinyl}(methyl)carbamate, 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl {[(4-tert-butylphenyl)sulfanyl]sulfinyl}methylcarbamate
| Molecular Formula | C22H27NO4S2 |
|---|---|
| Molecular Weight | 433.14 g/mol |
| LogP | 5.4992 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.13815 |
| Heavy Atoms | 29 |
| Complexity | 932.8187 |
Chemical Identifiers
| CAS Number | 77267-57-3 |
|---|---|
| SMILES | CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)S(=O)SC3=CC=C(C=C3)C(C)(C)C)C |
Product Overview
2,3-Dihydro-2,2-dimethylbenzofuranyl-7-(methyl)(4-t-butylphenylthiosulfinyl)carbamate (CAS 77267-57-3), with molecular formula C22H27NO4S2 and molecular weight 433.14 g/mol. IUPAC: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-(4-tert-butylphenyl)sulfanylsulfinyl-N-methylcarbamate.
Chemical Property Profile of 2,3-Dihydro-2,2-dimethylbenzofuranyl-7-(methyl)(4-t-butylphenylthiosulfinyl)carbamate
Property Insights of 2,3-Dihydro-2,2-dimethylbenzofuranyl-7-(methyl)(4-t-butylphenylthiosulfinyl)carbamate
The XLogP value of 5.4992 indicates that 2,3-Dihydro-2,2-dimethylbenzofuranyl-7-(methyl)(4-t-butylphenylthiosulfinyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, 2,3-Dihydro-2,2-dimethylbenzofuranyl-7-(methyl)(4-t-butylphenylthiosulfinyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dihydro-2,2-dimethylbenzofuranyl-7-(methyl)(4-t-butylphenylthiosulfinyl)carbamate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,3-Dihydro-2,2-dimethylbenzofuranyl-7-(methyl)(4-t-butylphenylthiosulfinyl)carbamate?
The CAS number of 2,3-Dihydro-2,2-dimethylbenzofuranyl-7-(methyl)(4-t-butylphenylthiosulfinyl)carbamate is 77267-57-3.
What is the molecular formula of 2,3-Dihydro-2,2-dimethylbenzofuranyl-7-(methyl)(4-t-butylphenylthiosulfinyl)carbamate?
The molecular formula of 2,3-Dihydro-2,2-dimethylbenzofuranyl-7-(methyl)(4-t-butylphenylthiosulfinyl)carbamate is C22H27NO4S2.
What is the molecular weight of 2,3-Dihydro-2,2-dimethylbenzofuranyl-7-(methyl)(4-t-butylphenylthiosulfinyl)carbamate?
The molecular weight of 2,3-Dihydro-2,2-dimethylbenzofuranyl-7-(methyl)(4-t-butylphenylthiosulfinyl)carbamate is 433.14 g/mol.
Where can I buy 2,3-Dihydro-2,2-dimethylbenzofuranyl-7-(methyl)(4-t-butylphenylthiosulfinyl)carbamate?
You can request a quote for 2,3-Dihydro-2,2-dimethylbenzofuranyl-7-(methyl)(4-t-butylphenylthiosulfinyl)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-dimethylbenzofuranyl-7-(methyl)(4-t-butylphenylthiosulfinyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dihydro-2,2-dimethylbenzofuranyl-7-(methyl)(4-t-butylphenylthiosulfinyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.