脱氢铃兰醛
TL;DR: 脱氢铃兰醛 (CAS 13586-68-0) is a chemical compound with molecular formula C14H18O and molecular weight 202.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
脱氢铃兰醛
3-(4-tert-butylphenyl)-2-methylprop-2-enal
Also Known As: 3-(4-tert-butylphenyl)-2-methylprop-2-enal, p-tert-Butyl-2-methylcinnamaldehyde, 2-Propenal, 3-[4-(1,1-dimethylethyl)phenyl]-2-methyl-, alpha-methyl-4-tert-butylcinnamaldehyde, azanium,cobalt(2+),sulfate,hexahydrate
| Molecular Formula | C14H18O |
|---|---|
| Molecular Weight | 202.14 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.13577 |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 13586-68-0 |
|---|---|
| SMILES | CC(=CC1=CC=C(C=C1)C(C)(C)C)C=O |
| InChIKey | ZZSXZEFWZXSQPX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
脱氢铃兰醛 (CAS 13586-68-0), with molecular formula C14H18O and molecular weight 202.14 g/mol. IUPAC: 3-(4-tert-butylphenyl)-2-methylprop-2-enal.
Chemical Property Profile of 脱氢铃兰醛
Property Insights of 脱氢铃兰醛
The XLogP value of 3.9 indicates that 脱氢铃兰醛 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 脱氢铃兰醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 脱氢铃兰醛 has 0 hydrogen bond donor(s) and 1 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 脱氢铃兰醛?
The CAS number of 脱氢铃兰醛 is 13586-68-0.
What is the molecular formula of 脱氢铃兰醛?
The molecular formula of 脱氢铃兰醛 is C14H18O.
What is the molecular weight of 脱氢铃兰醛?
The molecular weight of 脱氢铃兰醛 is 202.14 g/mol.
Where can I buy 脱氢铃兰醛?
You can request a quote for 脱氢铃兰醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 脱氢铃兰醛?
Yes, KEHONG BIO provides custom synthesis services for 脱氢铃兰醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.