RefChem:319306
TL;DR: RefChem:319306 (CAS 87415-49-4) is a chemical compound with molecular formula C25H31ClN2O3 and molecular weight 442.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2,6-dimethylanilino)-2-oxoethyl]-(2-hydroxy-3-naphthalen-1-yloxypropyl)-dimethylazanium chloride
Also Known As: Ammonium, dimethyl(2-hydroxy-3-(1-naphthyloxy)propyl)(((2,6-xylyl)carbamoyl)methyl)-, chloride, Dimethyl(2-hydroxy-3-(1-naphthyloxy)propyl)(((2,6-xylyl)carbamoyl)methyl)ammonium chloride, [2-(2,6-dimethylanilino)-2-oxoethyl]-(2-hydroxy-3-naphthalen-1-yloxypropyl)-dimethylazanium chloride, DIMETHYL(2-HYDROXY-3-(NAPHTHALEN-1-YLOXY)PROPYL)(((2,6-XYLYL)CARBAMOYL)METHYL)AMMONIUM CHLORIDE, RefChem:319306
| Molecular Formula | C25H31ClN2O3 |
|---|---|
| Molecular Weight | 442.20 g/mol |
| LogP | 0.92 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 442.20233 |
| Heavy Atoms | 31 |
| Complexity | 543.0 |
Chemical Identifiers
| CAS Number | 87415-49-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)C[N+](C)(C)CC(COC2=CC=CC3=CC=CC=C32)O.[Cl-] |
| InChIKey | VHHFHLOCPORFDL-UHFFFAOYSA-N |
Product Overview
RefChem:319306 (CAS 87415-49-4), with molecular formula C25H31ClN2O3 and molecular weight 442.20 g/mol. IUPAC: [2-(2,6-dimethylanilino)-2-oxoethyl]-(2-hydroxy-3-naphthalen-1-yloxypropyl)-dimethylazanium chloride.
Chemical Property Profile of RefChem:319306
Property Insights of RefChem:319306
The XLogP value of 0.92 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:319306. With a topological polar surface area (TPSA) of 58.6 Ų, RefChem:319306 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:319306 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:319306?
The CAS number of RefChem:319306 is 87415-49-4.
What is the molecular formula of RefChem:319306?
The molecular formula of RefChem:319306 is C25H31ClN2O3.
What is the molecular weight of RefChem:319306?
The molecular weight of RefChem:319306 is 442.20 g/mol.
Where can I buy RefChem:319306?
You can request a quote for RefChem:319306 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:319306?
Yes, KEHONG BIO provides custom synthesis services for RefChem:319306 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.