Carbamic acid, diethyldithio-, benzamidomethyl ester
TL;DR: Carbamic acid, diethyldithio-, benzamidomethyl ester (CAS 13575-57-0) is a chemical compound with molecular formula C13H18N2OS2 and molecular weight 282.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzamidomethyl N,N-diethylcarbamodithioate
Also Known As: Diethyldithiocarbamic acid benzamidomethyl ester, CARBAMIC ACID, DIETHYLDITHIO-, BENZAMIDOMETHYL ESTER, Benzamidomethyl diethylcarbamodithioate, benzamidomethyl N,N-diethylcarbamodithioate, Carbamodothioic acid, diethyl-, (benzoylamino)methyl ester
| Molecular Formula | C13H18N2OS2 |
|---|---|
| Molecular Weight | 282.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 89.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 282.08606 |
| Heavy Atoms | 18 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 13575-57-0 |
|---|---|
| SMILES | CCN(CC)C(=S)SCNC(=O)C1=CC=CC=C1 |
| InChIKey | GJIVFFKKYIWZJB-UHFFFAOYSA-N |
Product Overview
Carbamic acid, diethyldithio-, benzamidomethyl ester (CAS 13575-57-0), with molecular formula C13H18N2OS2 and molecular weight 282.09 g/mol. IUPAC: benzamidomethyl N,N-diethylcarbamodithioate.
Chemical Property Profile of Carbamic acid, diethyldithio-, benzamidomethyl ester
Property Insights of Carbamic acid, diethyldithio-, benzamidomethyl ester
The XLogP value of 3.1 indicates that Carbamic acid, diethyldithio-, benzamidomethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, diethyldithio-, benzamidomethyl ester. Following Lipinski's Rule of Five, Carbamic acid, diethyldithio-, benzamidomethyl ester has 1 hydrogen bond donor(s) and 3 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, diethyldithio-, benzamidomethyl ester?
The CAS number of Carbamic acid, diethyldithio-, benzamidomethyl ester is 13575-57-0.
What is the molecular formula of Carbamic acid, diethyldithio-, benzamidomethyl ester?
The molecular formula of Carbamic acid, diethyldithio-, benzamidomethyl ester is C13H18N2OS2.
What is the molecular weight of Carbamic acid, diethyldithio-, benzamidomethyl ester?
The molecular weight of Carbamic acid, diethyldithio-, benzamidomethyl ester is 282.09 g/mol.
Where can I buy Carbamic acid, diethyldithio-, benzamidomethyl ester?
You can request a quote for Carbamic acid, diethyldithio-, benzamidomethyl 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, diethyldithio-, benzamidomethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, diethyldithio-, benzamidomethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.