Einecs 271-550-9
TL;DR: Einecs 271-550-9 (CAS 79984-70-6) is a chemical compound with molecular formula C19H29NO2 and molecular weight 303.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hydroxy-3,7-dimethyloctanal;3-methyl-1H-indole
Also Known As: Skatole, hydroxycitronellal condensation product, 7-hydroxy-3,7-dimethyloctanal- 3-methyl-1h-indole(1:1), 7-hydroxy-3,7-dimethyloctanal; 3-methyl-1H-indole, Octanal, 7-hydroxy-3,7-dimethyl-, reaction products with 3-methyl-1H-indole, EINECS 271-550-9
| Molecular Formula | C19H29NO2 |
|---|---|
| Molecular Weight | 303.22 g/mol |
| LogP | 4.62902 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 303.21982 |
| Heavy Atoms | 22 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 79984-70-6 |
|---|---|
| SMILES | CC1=CNC2=CC=CC=C12.CC(CCCC(C)(C)O)CC=O |
| InChIKey | JRYGGBWWIHPCIW-UHFFFAOYSA-N |
Product Overview
Einecs 271-550-9 (CAS 79984-70-6), with molecular formula C19H29NO2 and molecular weight 303.22 g/mol. IUPAC: 7-hydroxy-3,7-dimethyloctanal;3-methyl-1H-indole.
Chemical Property Profile of Einecs 271-550-9
Property Insights of Einecs 271-550-9
The XLogP value of 4.62902 indicates that Einecs 271-550-9 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.1 Ų, Einecs 271-550-9 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Einecs 271-550-9 has 2 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 Einecs 271-550-9?
The CAS number of Einecs 271-550-9 is 79984-70-6.
What is the molecular formula of Einecs 271-550-9?
The molecular formula of Einecs 271-550-9 is C19H29NO2.
What is the molecular weight of Einecs 271-550-9?
The molecular weight of Einecs 271-550-9 is 303.22 g/mol.
Where can I buy Einecs 271-550-9?
You can request a quote for Einecs 271-550-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 271-550-9?
Yes, KEHONG BIO provides custom synthesis services for Einecs 271-550-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.