RefChem:232231
TL;DR: RefChem:232231 (CAS 50765-72-5) is a chemical compound with molecular formula C22H29ClN2 and molecular weight 356.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-cyano-6-methyl-3-naphthalen-1-ylhept-5-enyl)-ethyl-methylazanium chloride
Also Known As: alpha-(2-Ethylmethylaminoethyl)-alpha-prenyl-1-naphthylacetonitrile hydrochloride, 1-Naphthaleneacetonitrile, alpha-(2-ethylmethylaminoethyl)-alpha-(3-methyl-2-butenyl)-, hydrochloride, (3-cyano-6-methyl-3-naphthalen-1-ylhept-5-enyl)-ethyl-methylazanium chloride, 1-NAPHTHALENEACETONITRILE, alpha-(2-ETHYLMETHYLAMINOETHYL)-alpha-(3-METHYL-2-BUT, 1-Naphthaleneacetonitrile, .alpha.-[2-(ethylmethylamino)ethyl]-.alpha.-(3-methyl-3-butenyl)-, monohydrochloride
| Molecular Formula | C22H29ClN2 |
|---|---|
| Molecular Weight | 356.20 g/mol |
| LogP | 0.89 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 356.20193 |
| Heavy Atoms | 25 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 50765-72-5 |
|---|---|
| SMILES | CC[NH+](C)CCC(CC=C(C)C)(C#N)C1=CC=CC2=CC=CC=C21.[Cl-] |
| InChIKey | RUEYJJXJQYFCCU-UHFFFAOYSA-N |
Product Overview
RefChem:232231 (CAS 50765-72-5), with molecular formula C22H29ClN2 and molecular weight 356.20 g/mol. IUPAC: (3-cyano-6-methyl-3-naphthalen-1-ylhept-5-enyl)-ethyl-methylazanium chloride.
Chemical Property Profile of RefChem:232231
Property Insights of RefChem:232231
The XLogP value of 0.89 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:232231. With a topological polar surface area (TPSA) of 28.2 Ų, RefChem:232231 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:232231 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:232231?
The CAS number of RefChem:232231 is 50765-72-5.
What is the molecular formula of RefChem:232231?
The molecular formula of RefChem:232231 is C22H29ClN2.
What is the molecular weight of RefChem:232231?
The molecular weight of RefChem:232231 is 356.20 g/mol.
Where can I buy RefChem:232231?
You can request a quote for RefChem:232231 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:232231?
Yes, KEHONG BIO provides custom synthesis services for RefChem:232231 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.