Carbamic acid, ((p-tert-butylphenyl)thio)methyl-, m-isopropylphenyl ester
TL;DR: Carbamic acid, ((p-tert-butylphenyl)thio)methyl-, m-isopropylphenyl ester (CAS 50539-96-3) is a chemical compound with molecular formula C21H27NO2S and molecular weight 357.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-propan-2-ylphenyl) N-(4-tert-butylphenyl)sulfanyl-N-methylcarbamate
Also Known As: CARBAMIC ACID, ((p-tert-BUTYLPHENYL)THIO)METHYL-, m-ISOPROPYLPHENYL ESTER, m-Isopropylphenyl N-((p-tert-butylphenyl)sulfenyl)-N-methylcarbamate, (3-propan-2-ylphenyl) N-(4-tert-butylphenyl)sulfanyl-N-methylcarbamate, 3-(Propan-2-yl)phenyl [(4-tert-butylphenyl)sulfanyl](methyl)carbamate, RefChem:331724
| Molecular Formula | C21H27NO2S |
|---|---|
| Molecular Weight | 357.18 g/mol |
| LogP | 6.2454 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.17624 |
| Heavy Atoms | 25 |
| Complexity | 717.4211 |
Chemical Identifiers
| CAS Number | 50539-96-3 |
|---|---|
| SMILES | CC(C)C1=CC(=CC=C1)OC(=O)N(C)SC2=CC=C(C=C2)C(C)(C)C |
Product Overview
Carbamic acid, ((p-tert-butylphenyl)thio)methyl-, m-isopropylphenyl ester (CAS 50539-96-3), with molecular formula C21H27NO2S and molecular weight 357.18 g/mol. IUPAC: (3-propan-2-ylphenyl) N-(4-tert-butylphenyl)sulfanyl-N-methylcarbamate.
Chemical Property Profile of Carbamic acid, ((p-tert-butylphenyl)thio)methyl-, m-isopropylphenyl ester
Property Insights of Carbamic acid, ((p-tert-butylphenyl)thio)methyl-, m-isopropylphenyl ester
The XLogP value of 6.2454 indicates that Carbamic acid, ((p-tert-butylphenyl)thio)methyl-, m-isopropylphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, Carbamic acid, ((p-tert-butylphenyl)thio)methyl-, m-isopropylphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, ((p-tert-butylphenyl)thio)methyl-, m-isopropylphenyl ester has 0 hydrogen bond donor(s) and 3 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-, m-isopropylphenyl ester?
The CAS number of Carbamic acid, ((p-tert-butylphenyl)thio)methyl-, m-isopropylphenyl ester is 50539-96-3.
What is the molecular formula of Carbamic acid, ((p-tert-butylphenyl)thio)methyl-, m-isopropylphenyl ester?
The molecular formula of Carbamic acid, ((p-tert-butylphenyl)thio)methyl-, m-isopropylphenyl ester is C21H27NO2S.
What is the molecular weight of Carbamic acid, ((p-tert-butylphenyl)thio)methyl-, m-isopropylphenyl ester?
The molecular weight of Carbamic acid, ((p-tert-butylphenyl)thio)methyl-, m-isopropylphenyl ester is 357.18 g/mol.
Where can I buy Carbamic acid, ((p-tert-butylphenyl)thio)methyl-, m-isopropylphenyl ester?
You can request a quote for Carbamic acid, ((p-tert-butylphenyl)thio)methyl-, m-isopropylphenyl 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-, m-isopropylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, ((p-tert-butylphenyl)thio)methyl-, m-isopropylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.