Carbamic acid, butyl-, diester with phenethyliminodiethanol, hydrochloride
TL;DR: Carbamic acid, butyl-, diester with phenethyliminodiethanol, hydrochloride (CAS 27601-65-6) is a chemical compound with molecular formula C22H38ClN3O4 and molecular weight 443.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[2-(butylcarbamoyloxy)ethyl]-(2-phenylethyl)azanium chloride
Also Known As: CARBAMIC ACID, BUTYL-, DIESTER with PHENETHYLIMINODIETHANOL, HYDROCHLORIDE, Ethanol, 2,2'-phenethyliminodi-, bis(butylcarbamate), hydrochloride, bis[2-(butylcarbamoyloxy)ethyl]-phenethylazanium chloride, Carbamic acid, butyl-, (phenethylimino)diethylene ester, monohydrochloride, RefChem:332327
| Molecular Formula | C22H38ClN3O4 |
|---|---|
| Molecular Weight | 443.26 g/mol |
| LogP | -0.83 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 17 |
| Exact Mass | 443.2551 |
| Heavy Atoms | 30 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 27601-65-6 |
|---|---|
| SMILES | CCCCNC(=O)OCC[NH+](CCC1=CC=CC=C1)CCOC(=O)NCCCC.[Cl-] |
| InChIKey | FWGIPPQWKWEFKN-UHFFFAOYSA-N |
Product Overview
Carbamic acid, butyl-, diester with phenethyliminodiethanol, hydrochloride (CAS 27601-65-6), with molecular formula C22H38ClN3O4 and molecular weight 443.26 g/mol. IUPAC: bis[2-(butylcarbamoyloxy)ethyl]-(2-phenylethyl)azanium chloride.
Chemical Property Profile of Carbamic acid, butyl-, diester with phenethyliminodiethanol, hydrochloride
Property Insights of Carbamic acid, butyl-, diester with phenethyliminodiethanol, hydrochloride
The XLogP value of -0.83 indicates that Carbamic acid, butyl-, diester with phenethyliminodiethanol, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, butyl-, diester with phenethyliminodiethanol, hydrochloride. Following Lipinski's Rule of Five, Carbamic acid, butyl-, diester with phenethyliminodiethanol, hydrochloride has 3 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, butyl-, diester with phenethyliminodiethanol, hydrochloride?
The CAS number of Carbamic acid, butyl-, diester with phenethyliminodiethanol, hydrochloride is 27601-65-6.
What is the molecular formula of Carbamic acid, butyl-, diester with phenethyliminodiethanol, hydrochloride?
The molecular formula of Carbamic acid, butyl-, diester with phenethyliminodiethanol, hydrochloride is C22H38ClN3O4.
What is the molecular weight of Carbamic acid, butyl-, diester with phenethyliminodiethanol, hydrochloride?
The molecular weight of Carbamic acid, butyl-, diester with phenethyliminodiethanol, hydrochloride is 443.26 g/mol.
Where can I buy Carbamic acid, butyl-, diester with phenethyliminodiethanol, hydrochloride?
You can request a quote for Carbamic acid, butyl-, diester with phenethyliminodiethanol, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, butyl-, diester with phenethyliminodiethanol, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, butyl-, diester with phenethyliminodiethanol, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.