Carbamic acid, methyl((phenylmethoxy)thio)-, 3-(1-methylethyl)phenyl ester
TL;DR: Carbamic acid, methyl((phenylmethoxy)thio)-, 3-(1-methylethyl)phenyl ester (CAS 86627-72-7) is a chemical compound with molecular formula C18H21NO3S and molecular weight 331.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-propan-2-ylphenyl) N-methyl-N-phenylmethoxysulfanylcarbamate
Also Known As: 3-Isopropylphenyl (benzyloxysulfenyl)(methyl)carbamate, CARBAMIC ACID, METHYL((PHENYLMETHOXY)THIO)-, 3-(1-METHYLETHYL)PHENYL ESTER, (3-propan-2-ylphenyl) N-methyl-N-phenylmethoxysulfanylcarbamate, 3-(Propan-2-yl)phenyl [(benzyloxy)sulfanyl](methyl)carbamate, (3-propan-2-ylphenyl) N-methyl-N-(phenylmethoxysulfanyl)carbamate
| Molecular Formula | C18H21NO3S |
|---|---|
| Molecular Weight | 331.12 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 331.1242 |
| Heavy Atoms | 23 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 86627-72-7 |
|---|---|
| SMILES | CC(C)C1=CC(=CC=C1)OC(=O)N(C)SOCC2=CC=CC=C2 |
| InChIKey | NFWRALIJQVLAGS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamic acid, methyl((phenylmethoxy)thio)-, 3-(1-methylethyl)phenyl ester (CAS 86627-72-7), with molecular formula C18H21NO3S and molecular weight 331.12 g/mol. IUPAC: (3-propan-2-ylphenyl) N-methyl-N-phenylmethoxysulfanylcarbamate.
Chemical Property Profile of Carbamic acid, methyl((phenylmethoxy)thio)-, 3-(1-methylethyl)phenyl ester
Property Insights of Carbamic acid, methyl((phenylmethoxy)thio)-, 3-(1-methylethyl)phenyl ester
The XLogP value of 4.8 indicates that Carbamic acid, methyl((phenylmethoxy)thio)-, 3-(1-methylethyl)phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, methyl((phenylmethoxy)thio)-, 3-(1-methylethyl)phenyl ester. Following Lipinski's Rule of Five, Carbamic acid, methyl((phenylmethoxy)thio)-, 3-(1-methylethyl)phenyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbamic acid, methyl((phenylmethoxy)thio)-, 3-(1-methylethyl)phenyl ester?
The CAS number of Carbamic acid, methyl((phenylmethoxy)thio)-, 3-(1-methylethyl)phenyl ester is 86627-72-7.
What is the molecular formula of Carbamic acid, methyl((phenylmethoxy)thio)-, 3-(1-methylethyl)phenyl ester?
The molecular formula of Carbamic acid, methyl((phenylmethoxy)thio)-, 3-(1-methylethyl)phenyl ester is C18H21NO3S.
What is the molecular weight of Carbamic acid, methyl((phenylmethoxy)thio)-, 3-(1-methylethyl)phenyl ester?
The molecular weight of Carbamic acid, methyl((phenylmethoxy)thio)-, 3-(1-methylethyl)phenyl ester is 331.12 g/mol.
Where can I buy Carbamic acid, methyl((phenylmethoxy)thio)-, 3-(1-methylethyl)phenyl ester?
You can request a quote for Carbamic acid, methyl((phenylmethoxy)thio)-, 3-(1-methylethyl)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, methyl((phenylmethoxy)thio)-, 3-(1-methylethyl)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, methyl((phenylmethoxy)thio)-, 3-(1-methylethyl)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.