Carbamic acid, diphenylthio-, S-(2-(dimethylamino)ethyl) ester, maleate
TL;DR: Carbamic acid, diphenylthio-, S-(2-(dimethylamino)ethyl) ester, maleate (CAS 101491-80-9) is a chemical compound with molecular formula C21H24N2O5S and molecular weight 416.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diphenylcarbamoylsulfanyl)ethyl-dimethylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: Diphenylthiocarbamic acid S-(2-(dimethylamino)ethyl) ester maleate, CARBAMIC ACID, DIPHENYLTHIO-, S-(2-(DIMETHYLAMINO)ETHYL) ESTER, MALEATE, 2-(diphenylcarbamoylsulfanyl)ethyl-dimethylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate, RefChem:1080904
| Molecular Formula | C21H24N2O5S |
|---|---|
| Molecular Weight | 416.14 g/mol |
| LogP | 1.1995 |
| Topological Polar Surface Area | 102.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.1406 |
| Heavy Atoms | 29 |
| Complexity | 754.8359 |
Chemical Identifiers
| CAS Number | 101491-80-9 |
|---|---|
| SMILES | C[NH+](C)CCSC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
Carbamic acid, diphenylthio-, S-(2-(dimethylamino)ethyl) ester, maleate (CAS 101491-80-9), with molecular formula C21H24N2O5S and molecular weight 416.14 g/mol. IUPAC: 2-(diphenylcarbamoylsulfanyl)ethyl-dimethylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of Carbamic acid, diphenylthio-, S-(2-(dimethylamino)ethyl) ester, maleate
Property Insights of Carbamic acid, diphenylthio-, S-(2-(dimethylamino)ethyl) ester, maleate
The XLogP value of 1.1995 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, diphenylthio-, S-(2-(dimethylamino)ethyl) ester, maleate. The TPSA of 102.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, diphenylthio-, S-(2-(dimethylamino)ethyl) ester, maleate. Following Lipinski's Rule of Five, Carbamic acid, diphenylthio-, S-(2-(dimethylamino)ethyl) ester, maleate has 2 hydrogen bond donor(s) and 5 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, diphenylthio-, S-(2-(dimethylamino)ethyl) ester, maleate?
The CAS number of Carbamic acid, diphenylthio-, S-(2-(dimethylamino)ethyl) ester, maleate is 101491-80-9.
What is the molecular formula of Carbamic acid, diphenylthio-, S-(2-(dimethylamino)ethyl) ester, maleate?
The molecular formula of Carbamic acid, diphenylthio-, S-(2-(dimethylamino)ethyl) ester, maleate is C21H24N2O5S.
What is the molecular weight of Carbamic acid, diphenylthio-, S-(2-(dimethylamino)ethyl) ester, maleate?
The molecular weight of Carbamic acid, diphenylthio-, S-(2-(dimethylamino)ethyl) ester, maleate is 416.14 g/mol.
Where can I buy Carbamic acid, diphenylthio-, S-(2-(dimethylamino)ethyl) ester, maleate?
You can request a quote for Carbamic acid, diphenylthio-, S-(2-(dimethylamino)ethyl) ester, maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, diphenylthio-, S-(2-(dimethylamino)ethyl) ester, maleate?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, diphenylthio-, S-(2-(dimethylamino)ethyl) ester, maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.