RefChem:331342
TL;DR: RefChem:331342 (CAS 100700-38-7) is a chemical compound with molecular formula C29H30N4O2 and molecular weight 466.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[3-(hydroxymethyl)-2-oxobenzimidazol-1-yl]piperidin-1-yl]-2,2-diphenylbutanenitrile
Also Known As: 5-24-02-00380 (Beilstein Handbook Reference), Butyronitrile, 2,2-diphenyl-4-(4-(3-hydroxymethyl-2-oxo-1-benzimidaizolinyl)piperidino)-, 1-(3-Cyano-3,3-diphenylpropyl)-4-(3-hydroxymethyl-2-oxo-1-benzimidazolinyl)-piperidine, 4-[4-[3-(hydroxymethyl)-2-oxobenzimidazol-1-yl]piperidin-1-yl]-2,2-diphenylbutanenitrile, 2,2-Diphenyl-4-[4-(2,3-dihydro-3-hydroxymethyl-2-oxo-1H-benzimidazol-1-yl)piperidino]butyronitrile
| Molecular Formula | C29H30N4O2 |
|---|---|
| Molecular Weight | 466.24 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 70.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 466.23688 |
| Heavy Atoms | 35 |
| Complexity | 740.0 |
Chemical Identifiers
| CAS Number | 100700-38-7 |
|---|---|
| SMILES | C1CN(CCC1N2C3=CC=CC=C3N(C2=O)CO)CCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5 |
| InChIKey | HLBZVDQDHZUVOU-UHFFFAOYSA-N |
Product Overview
RefChem:331342 (CAS 100700-38-7), with molecular formula C29H30N4O2 and molecular weight 466.24 g/mol. IUPAC: 4-[4-[3-(hydroxymethyl)-2-oxobenzimidazol-1-yl]piperidin-1-yl]-2,2-diphenylbutanenitrile.
Chemical Property Profile of RefChem:331342
Property Insights of RefChem:331342
The XLogP value of 4.7 indicates that RefChem:331342 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:331342. Following Lipinski's Rule of Five, RefChem:331342 has 1 hydrogen bond donor(s) and 4 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:331342?
The CAS number of RefChem:331342 is 100700-38-7.
What is the molecular formula of RefChem:331342?
The molecular formula of RefChem:331342 is C29H30N4O2.
What is the molecular weight of RefChem:331342?
The molecular weight of RefChem:331342 is 466.24 g/mol.
Where can I buy RefChem:331342?
You can request a quote for RefChem:331342 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331342?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331342 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.