Carbamic acid, ((4-bromophenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester
TL;DR: Carbamic acid, ((4-bromophenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester (CAS 50539-90-7) is a chemical compound with molecular formula C17H18BrNO3S and molecular weight 395.01907 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-propan-2-yloxyphenyl) N-[(4-bromophenyl)sulfanylmethyl]carbamate
Also Known As: CARBAMIC ACID, ((4-BROMOPHENYL)THIO)METHYL-, 2-(1-METHYLETHOXY)PHENYL ESTER, ((4-Bromophenyl)thio)methylcarbamic acid 2-(1-methylethoxy)phenyl ester, (2-propan-2-yloxyphenyl) N-[(4-bromophenyl)sulfanylmethyl]carbamate, 2-[(Propan-2-yl)oxy]phenyl {[(4-bromophenyl)sulfanyl]methyl}carbamate, BRN 2012123
Technical Specifications
| Molecular Formula | C17H18BrNO3S |
| Molecular Weight | 395.01907 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 72.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 395.01907 Da |
| Heavy Atoms | 23 |
| Complexity | 362.0 |
| SMILES | CC(C)OC1=CC=CC=C1OC(=O)NCSC2=CC=C(C=C2)Br |
| InChIKey | DLPPASMTYJSDIU-UHFFFAOYSA-N |
Chemical Property Profile of Carbamic acid, ((4-bromophenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester
Property Insights of Carbamic acid, ((4-bromophenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester
The XLogP value of 4.5 indicates that Carbamic acid, ((4-bromophenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, ((4-bromophenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester. Following Lipinski's Rule of Five, Carbamic acid, ((4-bromophenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Carbamic acid, ((4-bromophenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester?
The CAS number of Carbamic acid, ((4-bromophenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester is 50539-90-7.
What is the molecular formula of Carbamic acid, ((4-bromophenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester?
The molecular formula of Carbamic acid, ((4-bromophenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester is C17H18BrNO3S.
What is the molecular weight of Carbamic acid, ((4-bromophenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester?
The molecular weight of Carbamic acid, ((4-bromophenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester is 395.01907 g/mol.
Where can I buy Carbamic acid, ((4-bromophenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester?
You can request a quote for Carbamic acid, ((4-bromophenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbamic acid, ((4-bromophenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester?
Yes, CoreyChem provides custom synthesis services for Carbamic acid, ((4-bromophenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.