o-Methylvalerolactim
TL;DR: o-Methylvalerolactim (CAS 5693-62-9) is a chemical compound with molecular formula C6H11NO and molecular weight 113.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-2,3,4,5-tetrahydropyridine
Also Known As: o-Methylvalerolactim, 6-methoxy-2,3,4,5-tetrahydropyridine, O-methyl valerolactim, O-Methylpentanolactim, 2-Methylvalericacidanhydride
| Molecular Formula | C6H11NO |
|---|---|
| Molecular Weight | 113.08 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 21.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 113.08406 |
| Heavy Atoms | 8 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 5693-62-9 |
|---|---|
| SMILES | COC1=NCCCC1 |
| InChIKey | YNTUHDRALXNDEQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
o-Methylvalerolactim (CAS 5693-62-9), with molecular formula C6H11NO and molecular weight 113.08 g/mol. IUPAC: 6-methoxy-2,3,4,5-tetrahydropyridine.
Chemical Property Profile of o-Methylvalerolactim
Property Insights of o-Methylvalerolactim
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Methylvalerolactim. With a topological polar surface area (TPSA) of 21.6 Ų, o-Methylvalerolactim exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Methylvalerolactim 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 o-Methylvalerolactim?
The CAS number of o-Methylvalerolactim is 5693-62-9.
What is the molecular formula of o-Methylvalerolactim?
The molecular formula of o-Methylvalerolactim is C6H11NO.
What is the molecular weight of o-Methylvalerolactim?
The molecular weight of o-Methylvalerolactim is 113.08 g/mol.
Where can I buy o-Methylvalerolactim?
You can request a quote for o-Methylvalerolactim directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Methylvalerolactim?
Yes, KEHONG BIO provides custom synthesis services for o-Methylvalerolactim and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.