2-Isopropoxyphenyl (methyl)(2-methyl-4-t-butylphenylthiosulfinyl)carbamate
TL;DR: 2-Isopropoxyphenyl (methyl)(2-methyl-4-t-butylphenylthiosulfinyl)carbamate (CAS 77267-46-0) is a chemical compound with molecular formula C22H29NO4S2 and molecular weight 435.15 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)sulfanylsulfinyl-N-methylcarbamate
Also Known As: 2-Isopropoxyphenyl (methyl)(2-methyl-4-t-butylphenylthiosulfinyl)carbamate, Carbamicacid,(((4- methyl-,2- phenylester, Carbamic acid, (((4-(1,1-dimethylethyl)-2-methylphenyl)thio)sulfinyl)methyl-, 2-(1-methylethoxy)phenyl ester, (2-propan-2-yloxyphenyl) N-(4-tert-butyl-2-methylphenyl)sulfanylsulfinyl-N-methylcarbamate, (2-propan-2-yloxyphenyl) N-[(4-tert-butyl-2-methylphenyl)sulfanylsulfinylmethyl]carbamate
| Molecular Formula | C22H29NO4S2 |
|---|---|
| Molecular Weight | 435.15 g/mol |
| LogP | 5.88132 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 435.1538 |
| Heavy Atoms | 29 |
| Complexity | 890.6213 |
Chemical Identifiers
| CAS Number | 77267-46-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(C)(C)C)SS(=O)N(C)C(=O)OC2=CC=CC=C2OC(C)C |
Product Overview
2-Isopropoxyphenyl (methyl)(2-methyl-4-t-butylphenylthiosulfinyl)carbamate (CAS 77267-46-0), with molecular formula C22H29NO4S2 and molecular weight 435.15 g/mol. IUPAC: (2-propan-2-yloxyphenyl) N-(4-tert-butyl-2-methylphenyl)sulfanylsulfinyl-N-methylcarbamate.
Chemical Property Profile of 2-Isopropoxyphenyl (methyl)(2-methyl-4-t-butylphenylthiosulfinyl)carbamate
Property Insights of 2-Isopropoxyphenyl (methyl)(2-methyl-4-t-butylphenylthiosulfinyl)carbamate
The XLogP value of 5.88132 indicates that 2-Isopropoxyphenyl (methyl)(2-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-Isopropoxyphenyl (methyl)(2-methyl-4-t-butylphenylthiosulfinyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isopropoxyphenyl (methyl)(2-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-Isopropoxyphenyl (methyl)(2-methyl-4-t-butylphenylthiosulfinyl)carbamate?
The CAS number of 2-Isopropoxyphenyl (methyl)(2-methyl-4-t-butylphenylthiosulfinyl)carbamate is 77267-46-0.
What is the molecular formula of 2-Isopropoxyphenyl (methyl)(2-methyl-4-t-butylphenylthiosulfinyl)carbamate?
The molecular formula of 2-Isopropoxyphenyl (methyl)(2-methyl-4-t-butylphenylthiosulfinyl)carbamate is C22H29NO4S2.
What is the molecular weight of 2-Isopropoxyphenyl (methyl)(2-methyl-4-t-butylphenylthiosulfinyl)carbamate?
The molecular weight of 2-Isopropoxyphenyl (methyl)(2-methyl-4-t-butylphenylthiosulfinyl)carbamate is 435.15 g/mol.
Where can I buy 2-Isopropoxyphenyl (methyl)(2-methyl-4-t-butylphenylthiosulfinyl)carbamate?
You can request a quote for 2-Isopropoxyphenyl (methyl)(2-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-Isopropoxyphenyl (methyl)(2-methyl-4-t-butylphenylthiosulfinyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-Isopropoxyphenyl (methyl)(2-methyl-4-t-butylphenylthiosulfinyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.