RefChem:1056003
TL;DR: RefChem:1056003 (CAS 63766-36-9) is a chemical compound with molecular formula C21H27ClN2O and molecular weight 358.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,4R)-4-(dimethylcarbamoyl)-4-phenyl-2,3-dihydro-1H-naphthalen-1-yl]-dimethylazanium chloride
Also Known As: 1-Naphthamide, 1,2,3,4-tetrahydro-4-(dimethylamino)-N,N-dimethyl-1-phenyl-, hydrochloride, dihydrate, (Z)-, cis-1,2,3,4-Tetrahydro-4-dimethylamino-N,N-dimethyl-1-phenylnaphthamide hydrochloride, [(1R,4R)-4-(dimethylcarbamoyl)-4-phenyl-2,3-dihydro-1H-naphthalen-1-yl]-dimethylazanium chloride, 1-NAPHTHAMIDE, 1,2,3,4-TETRAHYDRO-4-(DIMETHYLAMINO)-N,N-DIMETHYL-1-PHENYL-, HYDR, 1-Naphthalenecarboxamide, 4-(dimethylamino)-1,2,3,4-tetrahydro-N,N-dimethyl-1-phenyl-, monohydrochloride, dihydrate, cis-
| Molecular Formula | C21H27ClN2O |
|---|---|
| Molecular Weight | 358.18 g/mol |
| LogP | -0.96 |
| Topological Polar Surface Area | 24.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.18118 |
| Heavy Atoms | 25 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 63766-36-9 |
|---|---|
| SMILES | C[NH+](C)[C@@H]1CC[C@](C2=CC=CC=C12)(C3=CC=CC=C3)C(=O)N(C)C.[Cl-] |
| InChIKey | XJEARRIWKFUKML-GNGUGDOWSA-N |
Product Overview
RefChem:1056003 (CAS 63766-36-9), with molecular formula C21H27ClN2O and molecular weight 358.18 g/mol. IUPAC: [(1R,4R)-4-(dimethylcarbamoyl)-4-phenyl-2,3-dihydro-1H-naphthalen-1-yl]-dimethylazanium chloride.
Chemical Property Profile of RefChem:1056003
Property Insights of RefChem:1056003
The XLogP value of -0.96 indicates that RefChem:1056003 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 24.8 Ų, RefChem:1056003 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1056003 has 1 hydrogen bond donor(s) and 2 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:1056003?
The CAS number of RefChem:1056003 is 63766-36-9.
What is the molecular formula of RefChem:1056003?
The molecular formula of RefChem:1056003 is C21H27ClN2O.
What is the molecular weight of RefChem:1056003?
The molecular weight of RefChem:1056003 is 358.18 g/mol.
Where can I buy RefChem:1056003?
You can request a quote for RefChem:1056003 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056003?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056003 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.