Carbamic acid, ((4-bromo-2-methylphenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester
TL;DR: Carbamic acid, ((4-bromo-2-methylphenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester (CAS 50539-91-8) is a chemical compound with molecular formula C18H20BrNO3S and molecular weight 409.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-propan-2-yloxyphenyl) N-(4-bromo-2-methylphenyl)sulfanyl-N-methylcarbamate
Also Known As: Carbamic acid, ((4-bromo-2-methylphenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester, ((4-Bromo-2-methylphenyl)thio)methylcarbamic acid 2-(1-methylethoxy)phenyl ester, (2-propan-2-yloxyphenyl) N-(4-bromo-2-methylphenyl)sulfanyl-N-methylcarbamate, 2-[(Propan-2-yl)oxy]phenyl [(4-bromo-2-methylphenyl)sulfanyl](methyl)carbamate, RefChem:331688
| Molecular Formula | C18H20BrNO3S |
|---|---|
| Molecular Weight | 409.03 g/mol |
| LogP | 5.68262 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.03473 |
| Heavy Atoms | 24 |
| Complexity | 721.1601 |
Chemical Identifiers
| CAS Number | 50539-91-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Br)SN(C)C(=O)OC2=CC=CC=C2OC(C)C |
Product Overview
Carbamic acid, ((4-bromo-2-methylphenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester (CAS 50539-91-8), with molecular formula C18H20BrNO3S and molecular weight 409.03 g/mol. IUPAC: (2-propan-2-yloxyphenyl) N-(4-bromo-2-methylphenyl)sulfanyl-N-methylcarbamate.
Chemical Property Profile of Carbamic acid, ((4-bromo-2-methylphenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester
Property Insights of Carbamic acid, ((4-bromo-2-methylphenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester
The XLogP value of 5.68262 indicates that Carbamic acid, ((4-bromo-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-bromo-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-bromo-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-bromo-2-methylphenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester?
The CAS number of Carbamic acid, ((4-bromo-2-methylphenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester is 50539-91-8.
What is the molecular formula of Carbamic acid, ((4-bromo-2-methylphenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester?
The molecular formula of Carbamic acid, ((4-bromo-2-methylphenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester is C18H20BrNO3S.
What is the molecular weight of Carbamic acid, ((4-bromo-2-methylphenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester?
The molecular weight of Carbamic acid, ((4-bromo-2-methylphenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester is 409.03 g/mol.
Where can I buy Carbamic acid, ((4-bromo-2-methylphenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester?
You can request a quote for Carbamic acid, ((4-bromo-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-bromo-2-methylphenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, ((4-bromo-2-methylphenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.