RefChem:1081108
TL;DR: RefChem:1081108 (CAS 100836-80-4) is a chemical compound with molecular formula C23H33ClN2O3 and molecular weight 420.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-butoxyphenyl)-phenylcarbamoyl]oxyethyl-diethylazanium chloride
Also Known As: o-Butoxy-N-phenyl-carbanilic acid 2-diethylaminoethyl ester hydrochloride, 2-(Diethylamino)ethyl o-butoxy-N-phenylcarbanilate hydrochloride, Carbanilic acid, o-butoxy-N-phenyl-, 2-diethylaminoethyl ester, monohydrochloride, 2-[(2-butoxyphenyl)-phenylcarbamoyl]oxyethyl-diethylazanium chloride, 2-{[(2-butoxyphenyl)(phenyl)carbamoyl]oxy}-n,n-diethylethanaminium chloride
| Molecular Formula | C23H33ClN2O3 |
|---|---|
| Molecular Weight | 420.22 g/mol |
| LogP | 1.07 |
| Topological Polar Surface Area | 43.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 420.21796 |
| Heavy Atoms | 29 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 100836-80-4 |
|---|---|
| SMILES | CCCCOC1=CC=CC=C1N(C2=CC=CC=C2)C(=O)OCC[NH+](CC)CC.[Cl-] |
| InChIKey | XDXLFVFJMRJIIU-UHFFFAOYSA-N |
Product Overview
RefChem:1081108 (CAS 100836-80-4), with molecular formula C23H33ClN2O3 and molecular weight 420.22 g/mol. IUPAC: 2-[(2-butoxyphenyl)-phenylcarbamoyl]oxyethyl-diethylazanium chloride.
Chemical Property Profile of RefChem:1081108
Property Insights of RefChem:1081108
The XLogP value of 1.07 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1081108. With a topological polar surface area (TPSA) of 43.2 Ų, RefChem:1081108 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1081108 has 1 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 RefChem:1081108?
The CAS number of RefChem:1081108 is 100836-80-4.
What is the molecular formula of RefChem:1081108?
The molecular formula of RefChem:1081108 is C23H33ClN2O3.
What is the molecular weight of RefChem:1081108?
The molecular weight of RefChem:1081108 is 420.22 g/mol.
Where can I buy RefChem:1081108?
You can request a quote for RefChem:1081108 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1081108?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1081108 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.