RefChem:326000
TL;DR: RefChem:326000 (CAS 16145-71-4) is a chemical compound with molecular formula C23H26Cl2N4O and molecular weight 444.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]propanenitrile;hydrochloride
Also Known As: N-Propionitrile Chlorphine (hydrochloride), 1-(1-(1-p-Chlorophenylethyl)-4-piperidyl)-3-(2-cyanoethyl)-3-benzimidazolinone hydrochloride, Benzimidazoline-1-propionitrile, 3-(1-(p-chloro-alpha-methylbenzyl)4-piperidyl)-2-oxo-, hydrochloride, 3-(3-{1-[1-(4-Chlorophenyl)ethyl]piperidin-4-yl}-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl)propanenitrile--hydrogen chloride (1/1), 3-(3-{1-[1-(4-Chlorophenyl)ethyl]piperidin-4-yl}-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)propanenitrile hydrogen chloride (1:1)
| Molecular Formula | C23H26Cl2N4O |
|---|---|
| Molecular Weight | 444.15 g/mol |
| LogP | 5.18998 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.14838 |
| Heavy Atoms | 30 |
| Complexity | 618.0 |
Chemical Identifiers
| CAS Number | 16145-71-4 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)Cl)N2CCC(CC2)N3C4=CC=CC=C4N(C3=O)CCC#N.Cl |
| InChIKey | SLOVDXVMOHNKJL-UHFFFAOYSA-N |
Product Overview
RefChem:326000 (CAS 16145-71-4), with molecular formula C23H26Cl2N4O and molecular weight 444.15 g/mol. IUPAC: 3-[3-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]propanenitrile;hydrochloride.
Chemical Property Profile of RefChem:326000
Property Insights of RefChem:326000
The XLogP value of 5.18998 indicates that RefChem:326000 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, RefChem:326000 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:326000 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:326000?
The CAS number of RefChem:326000 is 16145-71-4.
What is the molecular formula of RefChem:326000?
The molecular formula of RefChem:326000 is C23H26Cl2N4O.
What is the molecular weight of RefChem:326000?
The molecular weight of RefChem:326000 is 444.15 g/mol.
Where can I buy RefChem:326000?
You can request a quote for RefChem:326000 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:326000?
Yes, KEHONG BIO provides custom synthesis services for RefChem:326000 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.