RefChem:232228
TL;DR: RefChem:232228 (CAS 50765-77-0) is a chemical compound with molecular formula C25H33ClN2 and molecular weight 396.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-cyano-3-naphthalen-1-ylbutyl)-bis(3-methylbut-2-enyl)azanium chloride
Also Known As: alpha-(2-Diprenylaminoethyl)-alpha-methyl-1-naphthylacetonitrile hydrochloride, 1-Naphthaleneacetonitrile, alpha-(2-bis(3-methyl-2-butenyl)amino)ethyl-alpha-methyl-, hydrochloride, (3-cyano-3-naphthalen-1-ylbutyl)-bis(3-methylbut-2-enyl)azanium chloride, 1-Naphthaleneacetonitrile, .alpha.-[2-[bis(3-methyl-2-butenyl)amino]ethyl]-.alpha.-methyl-, monohydrochloride, RefChem:232228
| Molecular Formula | C25H33ClN2 |
|---|---|
| Molecular Weight | 396.23 g/mol |
| LogP | 1.83 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 396.23322 |
| Heavy Atoms | 28 |
| Complexity | 550.0 |
Chemical Identifiers
| CAS Number | 50765-77-0 |
|---|---|
| SMILES | CC(=CC[NH+](CCC(C)(C#N)C1=CC=CC2=CC=CC=C21)CC=C(C)C)C.[Cl-] |
| InChIKey | MPNVQOYJNGVWGN-UHFFFAOYSA-N |
Product Overview
RefChem:232228 (CAS 50765-77-0), with molecular formula C25H33ClN2 and molecular weight 396.23 g/mol. IUPAC: (3-cyano-3-naphthalen-1-ylbutyl)-bis(3-methylbut-2-enyl)azanium chloride.
Chemical Property Profile of RefChem:232228
Property Insights of RefChem:232228
The XLogP value of 1.83 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:232228. With a topological polar surface area (TPSA) of 28.2 Ų, RefChem:232228 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:232228 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:232228?
The CAS number of RefChem:232228 is 50765-77-0.
What is the molecular formula of RefChem:232228?
The molecular formula of RefChem:232228 is C25H33ClN2.
What is the molecular weight of RefChem:232228?
The molecular weight of RefChem:232228 is 396.23 g/mol.
Where can I buy RefChem:232228?
You can request a quote for RefChem:232228 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:232228?
Yes, KEHONG BIO provides custom synthesis services for RefChem:232228 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.