Aldh1A3-IN-2
TL;DR: Aldh1A3-IN-2 (CAS 886502-08-5) is a chemical compound with molecular formula C13H17NO and molecular weight 203.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-piperidin-1-ylbenzaldehyde
Also Known As: ALDH1A3-IN-2, 3-Methyl-4-(piperidin-1-yl)benzaldehyde, Benzaldehyde, 3-methyl-4-(1-piperidinyl)-, 3-methyl-4-piperidin-1-ylbenzaldehyde, 3-Methyl-4-(1-piperidinyl)benzaldehyde
| Molecular Formula | C13H17NO |
|---|---|
| Molecular Weight | 203.13 g/mol |
| LogP | 2.79782 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.13101 |
| Heavy Atoms | 15 |
| Complexity | 353.55362 |
Chemical Identifiers
| CAS Number | 886502-08-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C=O)N2CCCCC2 |
Product Overview
Aldh1A3-IN-2 (CAS 886502-08-5), with molecular formula C13H17NO and molecular weight 203.13 g/mol. IUPAC: 3-methyl-4-piperidin-1-ylbenzaldehyde.
Chemical Property Profile of Aldh1A3-IN-2
Property Insights of Aldh1A3-IN-2
The XLogP value of 2.79782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aldh1A3-IN-2. With a topological polar surface area (TPSA) of 20.31 Ų, Aldh1A3-IN-2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aldh1A3-IN-2 has 0 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 Aldh1A3-IN-2?
The CAS number of Aldh1A3-IN-2 is 886502-08-5.
What is the molecular formula of Aldh1A3-IN-2?
The molecular formula of Aldh1A3-IN-2 is C13H17NO.
What is the molecular weight of Aldh1A3-IN-2?
The molecular weight of Aldh1A3-IN-2 is 203.13 g/mol.
Where can I buy Aldh1A3-IN-2?
You can request a quote for Aldh1A3-IN-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aldh1A3-IN-2?
Yes, KEHONG BIO provides custom synthesis services for Aldh1A3-IN-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.