Carbonic acid, (dicyclohexylamino)thioxomethyl ethyl ester
TL;DR: Carbonic acid, (dicyclohexylamino)thioxomethyl ethyl ester (CAS 6301-76-4) is a chemical compound with molecular formula C16H27NO3S and molecular weight 313.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dicyclohexylcarbamothioyl ethyl carbonate
Also Known As: Carbonic acid, (dicyclohexylamino)thioxomethyl ethyl ester, dicyclohexylcarbamothioyl ethyl carbonate, dicyclohexylcarbamothioylethylcarbonate, carbonic acid,(dicyclohexylamino)thioxomethyl ethyl ester, Carbonic acid, monoanhydride with N,N-dicyclohexylcarbamothioic acid, ethyl ester
| Molecular Formula | C16H27NO3S |
|---|---|
| Molecular Weight | 313.17 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 70.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.17117 |
| Heavy Atoms | 21 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 6301-76-4 |
|---|---|
| SMILES | CCOC(=O)OC(=S)N(C1CCCCC1)C2CCCCC2 |
| InChIKey | QYIHLHUSBBADSL-UHFFFAOYSA-N |
Product Overview
Carbonic acid, (dicyclohexylamino)thioxomethyl ethyl ester (CAS 6301-76-4), with molecular formula C16H27NO3S and molecular weight 313.17 g/mol. IUPAC: dicyclohexylcarbamothioyl ethyl carbonate.
Chemical Property Profile of Carbonic acid, (dicyclohexylamino)thioxomethyl ethyl ester
Property Insights of Carbonic acid, (dicyclohexylamino)thioxomethyl ethyl ester
The XLogP value of 4.9 indicates that Carbonic acid, (dicyclohexylamino)thioxomethyl ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbonic acid, (dicyclohexylamino)thioxomethyl ethyl ester. Following Lipinski's Rule of Five, Carbonic acid, (dicyclohexylamino)thioxomethyl ethyl 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 Carbonic acid, (dicyclohexylamino)thioxomethyl ethyl ester?
The CAS number of Carbonic acid, (dicyclohexylamino)thioxomethyl ethyl ester is 6301-76-4.
What is the molecular formula of Carbonic acid, (dicyclohexylamino)thioxomethyl ethyl ester?
The molecular formula of Carbonic acid, (dicyclohexylamino)thioxomethyl ethyl ester is C16H27NO3S.
What is the molecular weight of Carbonic acid, (dicyclohexylamino)thioxomethyl ethyl ester?
The molecular weight of Carbonic acid, (dicyclohexylamino)thioxomethyl ethyl ester is 313.17 g/mol.
Where can I buy Carbonic acid, (dicyclohexylamino)thioxomethyl ethyl ester?
You can request a quote for Carbonic acid, (dicyclohexylamino)thioxomethyl ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonic acid, (dicyclohexylamino)thioxomethyl ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid, (dicyclohexylamino)thioxomethyl ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.