Carbamothioic acid, methyl-1-naphthalenyl-, O-2-naphthalenyl ester
TL;DR: Carbamothioic acid, methyl-1-naphthalenyl-, O-2-naphthalenyl ester (CAS 1049-15-6) is a chemical compound with molecular formula C22H17NOS and molecular weight 343.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-naphthalen-2-yl N-methyl-N-naphthalen-1-ylcarbamothioate
Also Known As: Naphtiomate-N, o-(2-Naphthyl) methyl(1-naphthyl)thiocarbamate, 2-Naphthyl N-methyl-N-(1-naphthyl)thionocarbamate, J1.398.246E, Carbamothioic acid, methyl-1-naphthalenyl-, O-2-naphthalenyl ester
| Molecular Formula | C22H17NOS |
|---|---|
| Molecular Weight | 343.10 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 44.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.1031 |
| Heavy Atoms | 25 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 1049-15-6 |
|---|---|
| SMILES | CN(C1=CC=CC2=CC=CC=C21)C(=S)OC3=CC4=CC=CC=C4C=C3 |
| InChIKey | ULKCSVORYFKCRE-UHFFFAOYSA-N |
Product Overview
Carbamothioic acid, methyl-1-naphthalenyl-, O-2-naphthalenyl ester (CAS 1049-15-6), with molecular formula C22H17NOS and molecular weight 343.10 g/mol. IUPAC: O-naphthalen-2-yl N-methyl-N-naphthalen-1-ylcarbamothioate.
Chemical Property Profile of Carbamothioic acid, methyl-1-naphthalenyl-, O-2-naphthalenyl ester
Property Insights of Carbamothioic acid, methyl-1-naphthalenyl-, O-2-naphthalenyl ester
The XLogP value of 6.3 indicates that Carbamothioic acid, methyl-1-naphthalenyl-, O-2-naphthalenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.6 Ų, Carbamothioic acid, methyl-1-naphthalenyl-, O-2-naphthalenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamothioic acid, methyl-1-naphthalenyl-, O-2-naphthalenyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbamothioic acid, methyl-1-naphthalenyl-, O-2-naphthalenyl ester?
The CAS number of Carbamothioic acid, methyl-1-naphthalenyl-, O-2-naphthalenyl ester is 1049-15-6.
What is the molecular formula of Carbamothioic acid, methyl-1-naphthalenyl-, O-2-naphthalenyl ester?
The molecular formula of Carbamothioic acid, methyl-1-naphthalenyl-, O-2-naphthalenyl ester is C22H17NOS.
What is the molecular weight of Carbamothioic acid, methyl-1-naphthalenyl-, O-2-naphthalenyl ester?
The molecular weight of Carbamothioic acid, methyl-1-naphthalenyl-, O-2-naphthalenyl ester is 343.10 g/mol.
Where can I buy Carbamothioic acid, methyl-1-naphthalenyl-, O-2-naphthalenyl ester?
You can request a quote for Carbamothioic acid, methyl-1-naphthalenyl-, O-2-naphthalenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamothioic acid, methyl-1-naphthalenyl-, O-2-naphthalenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamothioic acid, methyl-1-naphthalenyl-, O-2-naphthalenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.