RefChem:1081135
TL;DR: RefChem:1081135 (CAS 17683-69-1) is a chemical compound with molecular formula C19H24ClN3O4 and molecular weight 393.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl-[2-[(4-nitrophenyl)carbamoyloxy]ethyl]-(3-phenylpropyl)azanium chloride
Also Known As: p-Nitrocarbanilic acid 2-(methyl(3-phenylpropyl)amino)ethyl ester hydrochloride, Carbanilic acid, p-nitro-, 2-(methyl(3-phenylpropyl)amino)ethyl ester, hydrochloride, methyl-[2-[(4-nitrophenyl)carbamoyloxy]ethyl]-(3-phenylpropyl)azanium chloride, RefChem:1081135
| Molecular Formula | C19H24ClN3O4 |
|---|---|
| Molecular Weight | 393.15 g/mol |
| LogP | -0.71 |
| Topological Polar Surface Area | 88.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 393.14554 |
| Heavy Atoms | 27 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 17683-69-1 |
|---|---|
| SMILES | C[NH+](CCCC1=CC=CC=C1)CCOC(=O)NC2=CC=C(C=C2)[N+](=O)[O-].[Cl-] |
| InChIKey | RZSJYQXTUBMNKH-UHFFFAOYSA-N |
Product Overview
RefChem:1081135 (CAS 17683-69-1), with molecular formula C19H24ClN3O4 and molecular weight 393.15 g/mol. IUPAC: methyl-[2-[(4-nitrophenyl)carbamoyloxy]ethyl]-(3-phenylpropyl)azanium chloride.
Chemical Property Profile of RefChem:1081135
Property Insights of RefChem:1081135
The XLogP value of -0.71 indicates that RefChem:1081135 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1081135. Following Lipinski's Rule of Five, RefChem:1081135 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 RefChem:1081135?
The CAS number of RefChem:1081135 is 17683-69-1.
What is the molecular formula of RefChem:1081135?
The molecular formula of RefChem:1081135 is C19H24ClN3O4.
What is the molecular weight of RefChem:1081135?
The molecular weight of RefChem:1081135 is 393.15 g/mol.
Where can I buy RefChem:1081135?
You can request a quote for RefChem:1081135 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1081135?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1081135 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.