Itameline
TL;DR: Itameline (CAS 145071-44-9) is a chemical compound with molecular formula C14H15ClN2O3 and molecular weight 294.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl) 5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridine-1-carboxylate
Also Known As: Itameline, Itamelina, Itameline [INN], itamelinum, RU 47213
| Molecular Formula | C14H15ClN2O3 |
|---|---|
| Molecular Weight | 294.08 g/mol |
| LogP | 3.1031 |
| Topological Polar Surface Area | 51.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.07712 |
| Heavy Atoms | 20 |
| Complexity | 525.72546 |
Chemical Identifiers
| CAS Number | 145071-44-9 |
|---|---|
| SMILES | CO/N=C/C1=CCCN(C1)C(=O)OC2=CC=C(C=C2)Cl |
Product Overview
Itameline (CAS 145071-44-9), with molecular formula C14H15ClN2O3 and molecular weight 294.08 g/mol. IUPAC: (4-chlorophenyl) 5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridine-1-carboxylate.
Chemical Property Profile of Itameline
Property Insights of Itameline
The XLogP value of 3.1031 indicates that Itameline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.13 Ų, Itameline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Itameline has 0 hydrogen bond donor(s) and 4 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 Itameline?
The CAS number of Itameline is 145071-44-9.
What is the molecular formula of Itameline?
The molecular formula of Itameline is C14H15ClN2O3.
What is the molecular weight of Itameline?
The molecular weight of Itameline is 294.08 g/mol.
Where can I buy Itameline?
You can request a quote for Itameline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Itameline?
Yes, KEHONG BIO provides custom synthesis services for Itameline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.