RefChem:1063881
TL;DR: RefChem:1063881 (CAS 50765-85-0) is a chemical compound with molecular formula C21H27ClN2 and molecular weight 342.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-cyano-6-methyl-3-naphthalen-2-ylhept-5-enyl)-dimethylazanium chloride
Also Known As: alpha-(2-Dimethylaminoethyl)-alpha-prenyl-2-naphthylacetonitrile hydrochloride, 2-Naphthaleneacetonitrile, alpha-(2-dimethylaminoethyl)-alpha-(3-methyl-2-butenyl)-, hydrochloride, (3-cyano-6-methyl-3-naphthalen-2-ylhept-5-enyl)-dimethylazanium chloride, 2-Naphthaleneacetonitrile, alpha-(2-(dimethylamino)ethyl)-alpha-(3-methyl-2-butenyl)-,monohydrochloride, 2-Naphthaleneacetonitrile, .alpha.-[2-(dimethylamino)ethyl]-.alpha.-(3-methyl-2-butenyl)-, monohydrochloride
| Molecular Formula | C21H27ClN2 |
|---|---|
| Molecular Weight | 342.19 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 342.18628 |
| Heavy Atoms | 24 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 50765-85-0 |
|---|---|
| SMILES | CC(=CCC(CC[NH+](C)C)(C#N)C1=CC2=CC=CC=C2C=C1)C.[Cl-] |
| InChIKey | OEEHXSFHUNVJJI-UHFFFAOYSA-N |
Product Overview
RefChem:1063881 (CAS 50765-85-0), with molecular formula C21H27ClN2 and molecular weight 342.19 g/mol. IUPAC: (3-cyano-6-methyl-3-naphthalen-2-ylhept-5-enyl)-dimethylazanium chloride.
Chemical Property Profile of RefChem:1063881
Property Insights of RefChem:1063881
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1063881. With a topological polar surface area (TPSA) of 28.2 Ų, RefChem:1063881 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1063881 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:1063881?
The CAS number of RefChem:1063881 is 50765-85-0.
What is the molecular formula of RefChem:1063881?
The molecular formula of RefChem:1063881 is C21H27ClN2.
What is the molecular weight of RefChem:1063881?
The molecular weight of RefChem:1063881 is 342.19 g/mol.
Where can I buy RefChem:1063881?
You can request a quote for RefChem:1063881 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1063881?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1063881 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.