Carbamic acid, methyl-, ester with salicylaldehyde, diethyl mercaptal
TL;DR: Carbamic acid, methyl-, ester with salicylaldehyde, diethyl mercaptal (CAS 6853-79-8) is a chemical compound with molecular formula C13H19NO2S2 and molecular weight 285.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[bis(ethylsulfanyl)methyl]phenyl] N-methylcarbamate
Also Known As: Hooker hrs-1630, ENT 27,156, 2-(Bis(methylthio)methyl)phenyl methylcarbamate, 3-(3-hydroxypropylamino)propoxyboronic acid, 2-[bis(ethylsulfanyl)methyl]phenyl methylcarbamate
| Molecular Formula | C13H19NO2S2 |
|---|---|
| Molecular Weight | 285.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 285.08572 |
| Heavy Atoms | 18 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 6853-79-8 |
|---|---|
| SMILES | CCSC(C1=CC=CC=C1OC(=O)NC)SCC |
| InChIKey | GAAGFBCYBSDRSY-UHFFFAOYSA-N |
Product Overview
Carbamic acid, methyl-, ester with salicylaldehyde, diethyl mercaptal (CAS 6853-79-8), with molecular formula C13H19NO2S2 and molecular weight 285.09 g/mol. IUPAC: [2-[bis(ethylsulfanyl)methyl]phenyl] N-methylcarbamate.
Chemical Property Profile of Carbamic acid, methyl-, ester with salicylaldehyde, diethyl mercaptal
Property Insights of Carbamic acid, methyl-, ester with salicylaldehyde, diethyl mercaptal
The XLogP value of 3.1 indicates that Carbamic acid, methyl-, ester with salicylaldehyde, diethyl mercaptal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, methyl-, ester with salicylaldehyde, diethyl mercaptal. Following Lipinski's Rule of Five, Carbamic acid, methyl-, ester with salicylaldehyde, diethyl mercaptal 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
Frequently Asked Questions
What is the CAS number of Carbamic acid, methyl-, ester with salicylaldehyde, diethyl mercaptal?
The CAS number of Carbamic acid, methyl-, ester with salicylaldehyde, diethyl mercaptal is 6853-79-8.
What is the molecular formula of Carbamic acid, methyl-, ester with salicylaldehyde, diethyl mercaptal?
The molecular formula of Carbamic acid, methyl-, ester with salicylaldehyde, diethyl mercaptal is C13H19NO2S2.
What is the molecular weight of Carbamic acid, methyl-, ester with salicylaldehyde, diethyl mercaptal?
The molecular weight of Carbamic acid, methyl-, ester with salicylaldehyde, diethyl mercaptal is 285.09 g/mol.
Where can I buy Carbamic acid, methyl-, ester with salicylaldehyde, diethyl mercaptal?
You can request a quote for Carbamic acid, methyl-, ester with salicylaldehyde, diethyl mercaptal 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-, ester with salicylaldehyde, diethyl mercaptal?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, methyl-, ester with salicylaldehyde, diethyl mercaptal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.