Carbamic acid, ((p-tert-butylphenyl)thio)methyl-, o-isopropoxyphenyl ester
TL;DR: Carbamic acid, ((p-tert-butylphenyl)thio)methyl-, o-isopropoxyphenyl ester (CAS 50539-88-3) is a chemical compound with molecular formula C21H27NO3S and molecular weight 373.17 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-butylphenyl)sulfanyl-N-methylcarbamate
Also Known As: N-((4-tert-Butylphenyl)thio)propoxur, CARBAMIC ACID, ((p-tert-BUTYLPHENYL)THIO)METHYL-, o-ISOPROPOXYPHENYL ESTER, 2-Isopropoxyphenyl N(p-tert-butylphenylsulfenyl)-N-methylcarbamate, (2-propan-2-yloxyphenyl) N-(4-tert-butylphenyl)sulfanyl-N-methylcarbamate, 2-[(Propan-2-yl)oxy]phenyl [(4-tert-butylphenyl)sulfanyl](methyl)carbamate
| Molecular Formula | C21H27NO3S |
|---|---|
| Molecular Weight | 373.17 g/mol |
| LogP | 5.9092 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.17117 |
| Heavy Atoms | 26 |
| Complexity | 735.66656 |
Chemical Identifiers
| CAS Number | 50539-88-3 |
|---|---|
| SMILES | CC(C)OC1=CC=CC=C1OC(=O)N(C)SC2=CC=C(C=C2)C(C)(C)C |
Product Overview
Carbamic acid, ((p-tert-butylphenyl)thio)methyl-, o-isopropoxyphenyl ester (CAS 50539-88-3), with molecular formula C21H27NO3S and molecular weight 373.17 g/mol. IUPAC: (2-propan-2-yloxyphenyl) N-(4-tert-butylphenyl)sulfanyl-N-methylcarbamate.
Chemical Property Profile of Carbamic acid, ((p-tert-butylphenyl)thio)methyl-, o-isopropoxyphenyl ester
Property Insights of Carbamic acid, ((p-tert-butylphenyl)thio)methyl-, o-isopropoxyphenyl ester
The XLogP value of 5.9092 indicates that Carbamic acid, ((p-tert-butylphenyl)thio)methyl-, o-isopropoxyphenyl 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, ((p-tert-butylphenyl)thio)methyl-, o-isopropoxyphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, ((p-tert-butylphenyl)thio)methyl-, o-isopropoxyphenyl 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, ((p-tert-butylphenyl)thio)methyl-, o-isopropoxyphenyl ester?
The CAS number of Carbamic acid, ((p-tert-butylphenyl)thio)methyl-, o-isopropoxyphenyl ester is 50539-88-3.
What is the molecular formula of Carbamic acid, ((p-tert-butylphenyl)thio)methyl-, o-isopropoxyphenyl ester?
The molecular formula of Carbamic acid, ((p-tert-butylphenyl)thio)methyl-, o-isopropoxyphenyl ester is C21H27NO3S.
What is the molecular weight of Carbamic acid, ((p-tert-butylphenyl)thio)methyl-, o-isopropoxyphenyl ester?
The molecular weight of Carbamic acid, ((p-tert-butylphenyl)thio)methyl-, o-isopropoxyphenyl ester is 373.17 g/mol.
Where can I buy Carbamic acid, ((p-tert-butylphenyl)thio)methyl-, o-isopropoxyphenyl ester?
You can request a quote for Carbamic acid, ((p-tert-butylphenyl)thio)methyl-, o-isopropoxyphenyl 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, ((p-tert-butylphenyl)thio)methyl-, o-isopropoxyphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, ((p-tert-butylphenyl)thio)methyl-, o-isopropoxyphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.