RefChem:333077
TL;DR: RefChem:333077 (CAS 2001-84-5) is a chemical compound with molecular formula C22H38ClN3O3 and molecular weight 427.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-[[2-(octoxycarbonylamino)benzoyl]amino]ethyl]azanium chloride
Also Known As: Octyl o-((2-(diethylamino)ethyl)carbamoyl)carbanilate hydrochloride, o-((2-(Diethylamino)ethyl)carbamoyl)carbanilic acid octyl ester hydrochloride, Carbamic acid, (2-(((2-(diethylamino)ethyl)amino)carbonyl)phenyl)-, octyl ester, HCl, Carbanilic acid, o-((2-(diethylamino)ethyl)carbamoyl)-, octyl ester, hydrochloride, diethyl-[2-[[2-(octoxycarbonylamino)benzoyl]amino]ethyl]azanium chloride
| Molecular Formula | C22H38ClN3O3 |
|---|---|
| Molecular Weight | 427.26 g/mol |
| LogP | 0.25 |
| Topological Polar Surface Area | 71.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 427.26016 |
| Heavy Atoms | 29 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 2001-84-5 |
|---|---|
| SMILES | CCCCCCCCOC(=O)NC1=CC=CC=C1C(=O)NCC[NH+](CC)CC.[Cl-] |
| InChIKey | AMNNTMQAMRSQRA-UHFFFAOYSA-N |
Product Overview
RefChem:333077 (CAS 2001-84-5), with molecular formula C22H38ClN3O3 and molecular weight 427.26 g/mol. IUPAC: diethyl-[2-[[2-(octoxycarbonylamino)benzoyl]amino]ethyl]azanium chloride.
Chemical Property Profile of RefChem:333077
Property Insights of RefChem:333077
The XLogP value of 0.25 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:333077. The TPSA of 71.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:333077. Following Lipinski's Rule of Five, RefChem:333077 has 3 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:333077?
The CAS number of RefChem:333077 is 2001-84-5.
What is the molecular formula of RefChem:333077?
The molecular formula of RefChem:333077 is C22H38ClN3O3.
What is the molecular weight of RefChem:333077?
The molecular weight of RefChem:333077 is 427.26 g/mol.
Where can I buy RefChem:333077?
You can request a quote for RefChem:333077 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:333077?
Yes, KEHONG BIO provides custom synthesis services for RefChem:333077 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.