RefChem:318608
TL;DR: RefChem:318608 (CAS 87415-50-7) is a chemical compound with molecular formula C23H26Cl2N2O3 and molecular weight 448.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-chloroanilino)-2-oxoethyl]-(2-hydroxy-3-naphthalen-1-yloxypropyl)-dimethylazanium chloride
Also Known As: Ammonium, (((p-chlorophenyl)carbamoyl)methyl)dimethyl(2-hydroxy-3-(1-naphthyloxy)propyl)-, chloride, [2-(4-chloroanilino)-2-oxoethyl]-(2-hydroxy-3-naphthalen-1-yloxypropyl)-dimethylazanium chloride, AMMONIUM, (((p-CHLOROPHENYL)CARBAMOYL)METHYL)DIMETHYL(2-HYDROXY-3-(1-NAPHTHYLOXY, RefChem:318608
| Molecular Formula | C23H26Cl2N2O3 |
|---|---|
| Molecular Weight | 448.13 g/mol |
| LogP | 0.95 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 448.13205 |
| Heavy Atoms | 30 |
| Complexity | 522.0 |
Chemical Identifiers
| CAS Number | 87415-50-7 |
|---|---|
| SMILES | C[N+](C)(CC(COC1=CC=CC2=CC=CC=C21)O)CC(=O)NC3=CC=C(C=C3)Cl.[Cl-] |
| InChIKey | JNEHNHQXIDZHMZ-UHFFFAOYSA-N |
Product Overview
RefChem:318608 (CAS 87415-50-7), with molecular formula C23H26Cl2N2O3 and molecular weight 448.13 g/mol. IUPAC: [2-(4-chloroanilino)-2-oxoethyl]-(2-hydroxy-3-naphthalen-1-yloxypropyl)-dimethylazanium chloride.
Chemical Property Profile of RefChem:318608
Property Insights of RefChem:318608
The XLogP value of 0.95 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:318608. With a topological polar surface area (TPSA) of 58.6 Ų, RefChem:318608 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318608 has 2 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:318608?
The CAS number of RefChem:318608 is 87415-50-7.
What is the molecular formula of RefChem:318608?
The molecular formula of RefChem:318608 is C23H26Cl2N2O3.
What is the molecular weight of RefChem:318608?
The molecular weight of RefChem:318608 is 448.13 g/mol.
Where can I buy RefChem:318608?
You can request a quote for RefChem:318608 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318608?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318608 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.