RefChem:1100756
TL;DR: RefChem:1100756 (CAS 50528-56-8) is a chemical compound with molecular formula C15H23N3O5S and molecular weight 357.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-1-(2-ethyl-6-methylphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea;sulfuric acid
Also Known As: 1-(6-Ethyl-o-tolyl)-3-(1-methyl-2-pyrrolidinylidene)urea sulfate, Urea, 1-(6-ethyl-o-tolyl)-3-(1-methyl-2-pyrrolidinylidene)-, hydrogen sulfate (1:1), (3Z)-1-(2-ethyl-6-methylphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea; sulfuric acid, Urea, (2-ethyl-6-methylphenyl)(1-methyl-2-pyrrolidinylidene)-, sulfate (1:1), RefChem:1100756
| Molecular Formula | C15H23N3O5S |
|---|---|
| Molecular Weight | 357.14 g/mol |
| LogP | 2.56062 |
| Topological Polar Surface Area | 119.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 357.13583 |
| Heavy Atoms | 24 |
| Complexity | 707.81976 |
Chemical Identifiers
| CAS Number | 50528-56-8 |
|---|---|
| SMILES | CCC1=CC=CC(=C1NC(=O)/N=C\2/CCCN2C)C.OS(=O)(=O)O |
Product Overview
RefChem:1100756 (CAS 50528-56-8), with molecular formula C15H23N3O5S and molecular weight 357.14 g/mol. IUPAC: (3Z)-1-(2-ethyl-6-methylphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea;sulfuric acid.
Chemical Property Profile of RefChem:1100756
Property Insights of RefChem:1100756
The XLogP value of 2.56062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1100756. The TPSA of 119.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1100756. Following Lipinski's Rule of Five, RefChem:1100756 has 3 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 RefChem:1100756?
The CAS number of RefChem:1100756 is 50528-56-8.
What is the molecular formula of RefChem:1100756?
The molecular formula of RefChem:1100756 is C15H23N3O5S.
What is the molecular weight of RefChem:1100756?
The molecular weight of RefChem:1100756 is 357.14 g/mol.
Where can I buy RefChem:1100756?
You can request a quote for RefChem:1100756 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1100756?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1100756 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.