2-Benzyl-4-hydroxy-4-phenylbutanal
TL;DR: 2-Benzyl-4-hydroxy-4-phenylbutanal (CAS 3710-57-4) is a chemical compound with molecular formula C17H18O2 and molecular weight 254.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-4-hydroxy-4-phenylbutanal
Also Known As: 2-benzyl-4-hydroxy-4-phenylbutanal, 2-benzyl-4-hydroxy-4-phenyl-butanal, 4-Hydroxy-2-benzyl-4-phenyl-butanal
| Molecular Formula | C17H18O2 |
|---|---|
| Molecular Weight | 254.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 254.13068 |
| Heavy Atoms | 19 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 3710-57-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(CC(C2=CC=CC=C2)O)C=O |
| InChIKey | IFCUYYCMYMUERK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzyl-4-hydroxy-4-phenylbutanal (CAS 3710-57-4), with molecular formula C17H18O2 and molecular weight 254.13 g/mol. IUPAC: 2-benzyl-4-hydroxy-4-phenylbutanal.
Chemical Property Profile of 2-Benzyl-4-hydroxy-4-phenylbutanal
Property Insights of 2-Benzyl-4-hydroxy-4-phenylbutanal
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzyl-4-hydroxy-4-phenylbutanal. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Benzyl-4-hydroxy-4-phenylbutanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzyl-4-hydroxy-4-phenylbutanal 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 2-Benzyl-4-hydroxy-4-phenylbutanal?
The CAS number of 2-Benzyl-4-hydroxy-4-phenylbutanal is 3710-57-4.
What is the molecular formula of 2-Benzyl-4-hydroxy-4-phenylbutanal?
The molecular formula of 2-Benzyl-4-hydroxy-4-phenylbutanal is C17H18O2.
What is the molecular weight of 2-Benzyl-4-hydroxy-4-phenylbutanal?
The molecular weight of 2-Benzyl-4-hydroxy-4-phenylbutanal is 254.13 g/mol.
Where can I buy 2-Benzyl-4-hydroxy-4-phenylbutanal?
You can request a quote for 2-Benzyl-4-hydroxy-4-phenylbutanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzyl-4-hydroxy-4-phenylbutanal?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-4-hydroxy-4-phenylbutanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.