EINECS 298-116-1
TL;DR: EINECS 298-116-1 (CAS 93777-84-5) is a chemical compound with molecular formula C17H21Cl2N3O5S and molecular weight 449.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(3,4-dichlorophenyl)carbamoylamino]phenyl]-trimethylazanium;methyl sulfate
Also Known As: EINECS 298-116-1, 4-((((3,4-Dichlorophenyl)amino)carbonyl)amino)-N,N,N-trimethylanilinium methyl sulphate, [4-[(3,4-dichlorophenyl)carbamoylamino]phenyl]-trimethyl-azanium; sulfonatooxymethane, [4-[(3,4-dichlorophenyl)carbamoylamino]phenyl]-trimethylazanium; methyl sulfate, 4-[[[(3,4-dichlorophenyl)amino]carbonyl]amino]-N,N,N-trimethylanilinium methyl sulfate
| Molecular Formula | C17H21Cl2N3O5S |
|---|---|
| Molecular Weight | 449.06 g/mol |
| LogP | 3.9271 |
| Topological Polar Surface Area | 107.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.0579 |
| Heavy Atoms | 28 |
| Complexity | 913.3804 |
Chemical Identifiers
| CAS Number | 93777-84-5 |
|---|---|
| SMILES | C[N+](C)(C)C1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl.COS(=O)(=O)[O-] |
Product Overview
EINECS 298-116-1 (CAS 93777-84-5), with molecular formula C17H21Cl2N3O5S and molecular weight 449.06 g/mol. IUPAC: [4-[(3,4-dichlorophenyl)carbamoylamino]phenyl]-trimethylazanium;methyl sulfate.
Chemical Property Profile of EINECS 298-116-1
Property Insights of EINECS 298-116-1
The XLogP value of 3.9271 indicates that EINECS 298-116-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.56 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 298-116-1. Following Lipinski's Rule of Five, EINECS 298-116-1 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 EINECS 298-116-1?
The CAS number of EINECS 298-116-1 is 93777-84-5.
What is the molecular formula of EINECS 298-116-1?
The molecular formula of EINECS 298-116-1 is C17H21Cl2N3O5S.
What is the molecular weight of EINECS 298-116-1?
The molecular weight of EINECS 298-116-1 is 449.06 g/mol.
Where can I buy EINECS 298-116-1?
You can request a quote for EINECS 298-116-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 298-116-1?
Yes, KEHONG BIO provides custom synthesis services for EINECS 298-116-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.