仙客来醛
TL;DR: 仙客来醛 (CAS 103-95-7) is a chemical compound with molecular formula C13H18O and molecular weight 190.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
仙客来醛
3-(4-propan-2-ylphenyl)butanal
Also Known As: Cyclamal, Cyclamen aldehyde, 3-(4-propan-2-ylphenyl)butanal, 3-(4-Isopropylphenyl)isobutyraldehyde, 3-[4-(propan-2-yl)phenyl]butanal
| Molecular Formula | C13H18O |
|---|---|
| Molecular Weight | 190.14 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 190.13577 |
| Heavy Atoms | 14 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 103-95-7 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C(C)CC=O |
| InChIKey | HQQPOVNESMNPNH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
仙客来醛 (CAS 103-95-7), with molecular formula C13H18O and molecular weight 190.14 g/mol. IUPAC: 3-(4-propan-2-ylphenyl)butanal.
Chemical Property Profile of 仙客来醛
Property Insights of 仙客来醛
The XLogP value of 3.1 indicates that 仙客来醛 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 仙客来醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 仙客来醛 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 仙客来醛?
The CAS number of 仙客来醛 is 103-95-7.
What is the molecular formula of 仙客来醛?
The molecular formula of 仙客来醛 is C13H18O.
What is the molecular weight of 仙客来醛?
The molecular weight of 仙客来醛 is 190.14 g/mol.
Where can I buy 仙客来醛?
You can request a quote for 仙客来醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 仙客来醛?
Yes, KEHONG BIO provides custom synthesis services for 仙客来醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.