Carbamic acid, ((4-(1,1-dimethylethyl)-2-methylphenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester
TL;DR: Carbamic acid, ((4-(1,1-dimethylethyl)-2-methylphenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester (CAS 50539-89-4) is a chemical compound with molecular formula C22H29NO3S and molecular weight 387.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-propan-2-yloxyphenyl) N-(4-tert-butyl-2-methylphenyl)sulfanyl-N-methylcarbamate
Also Known As: Carbamic acid, ((4-(1,1-dimethylethyl)-2-methylphenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester, (2-propan-2-yloxyphenyl) N-(4-tert-butyl-2-methylphenyl)sulfanyl-N-methylcarbamate, 2-[(Propan-2-yl)oxy]phenyl [(4-tert-butyl-2-methylphenyl)sulfanyl](methyl)carbamate, BRN 2017683, RefChem:331685
| Molecular Formula | C22H29NO3S |
|---|---|
| Molecular Weight | 387.19 g/mol |
| LogP | 6.21762 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.18683 |
| Heavy Atoms | 27 |
| Complexity | 796.3852 |
Chemical Identifiers
| CAS Number | 50539-89-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(C)(C)C)SN(C)C(=O)OC2=CC=CC=C2OC(C)C |
Product Overview
Carbamic acid, ((4-(1,1-dimethylethyl)-2-methylphenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester (CAS 50539-89-4), with molecular formula C22H29NO3S and molecular weight 387.19 g/mol. IUPAC: (2-propan-2-yloxyphenyl) N-(4-tert-butyl-2-methylphenyl)sulfanyl-N-methylcarbamate.
Chemical Property Profile of Carbamic acid, ((4-(1,1-dimethylethyl)-2-methylphenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester
Property Insights of Carbamic acid, ((4-(1,1-dimethylethyl)-2-methylphenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester
The XLogP value of 6.21762 indicates that Carbamic acid, ((4-(1,1-dimethylethyl)-2-methylphenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, Carbamic acid, ((4-(1,1-dimethylethyl)-2-methylphenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, ((4-(1,1-dimethylethyl)-2-methylphenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbamic acid, ((4-(1,1-dimethylethyl)-2-methylphenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester?
The CAS number of Carbamic acid, ((4-(1,1-dimethylethyl)-2-methylphenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester is 50539-89-4.
What is the molecular formula of Carbamic acid, ((4-(1,1-dimethylethyl)-2-methylphenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester?
The molecular formula of Carbamic acid, ((4-(1,1-dimethylethyl)-2-methylphenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester is C22H29NO3S.
What is the molecular weight of Carbamic acid, ((4-(1,1-dimethylethyl)-2-methylphenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester?
The molecular weight of Carbamic acid, ((4-(1,1-dimethylethyl)-2-methylphenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester is 387.19 g/mol.
Where can I buy Carbamic acid, ((4-(1,1-dimethylethyl)-2-methylphenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester?
You can request a quote for Carbamic acid, ((4-(1,1-dimethylethyl)-2-methylphenyl)thio)methyl-, 2-(1-methylethoxy)phenyl 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, ((4-(1,1-dimethylethyl)-2-methylphenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, ((4-(1,1-dimethylethyl)-2-methylphenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.