RefChem:339947
TL;DR: RefChem:339947 (CAS 79565-86-9) is a chemical compound with molecular formula C22H29IN2O4 and molecular weight 512.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R)-3-(N-benzoyl-2-methoxyanilino)-4-carboxybutyl]-trimethylazanium iodide
Also Known As: 2-(3-(Benzoyl(2-methoxyphenyl)amino)-1-oxopropoxy)-N,N,N-trimethylethanaminium iodide, Ethanaminium, 2-(3-(benzoyl(2-methoxyphenyl)amino)-1-oxopropoxy)-N,N,N-trimethyl-, iodide, [(3R)-3-(N-benzoyl-2-methoxyanilino)-5-hydroxy-5-oxopentyl]-trimethylazanium iodide, RefChem:339947
| Molecular Formula | C22H29IN2O4 |
|---|---|
| Molecular Weight | 512.12 g/mol |
| LogP | 0.2856 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 512.1172 |
| Heavy Atoms | 29 |
| Complexity | 805.9596 |
Chemical Identifiers
| CAS Number | 79565-86-9 |
|---|---|
| SMILES | C[N+](C)(C)CC[C@H](CC(=O)O)N(C1=CC=CC=C1OC)C(=O)C2=CC=CC=C2.[I-] |
Product Overview
RefChem:339947 (CAS 79565-86-9), with molecular formula C22H29IN2O4 and molecular weight 512.12 g/mol. IUPAC: [(3R)-3-(N-benzoyl-2-methoxyanilino)-4-carboxybutyl]-trimethylazanium iodide.
Chemical Property Profile of RefChem:339947
Property Insights of RefChem:339947
The XLogP value of 0.2856 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:339947. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:339947. Following Lipinski's Rule of Five, RefChem:339947 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:339947?
The CAS number of RefChem:339947 is 79565-86-9.
What is the molecular formula of RefChem:339947?
The molecular formula of RefChem:339947 is C22H29IN2O4.
What is the molecular weight of RefChem:339947?
The molecular weight of RefChem:339947 is 512.12 g/mol.
Where can I buy RefChem:339947?
You can request a quote for RefChem:339947 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:339947?
Yes, KEHONG BIO provides custom synthesis services for RefChem:339947 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.