RefChem:1068621
TL;DR: RefChem:1068621 (CAS 145071-53-0) is a chemical compound with molecular formula C12H20N2O3 and molecular weight 240.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridin-1-yl] 2,2-dimethylpropanoate
Also Known As: 3-Pyridinecarboxaldehyde, 1,2,5,6-tetrahydro-1-(2,2-dimethyl-1-oxopropoxy)-, 3-(O-methyloxime), (E)-, 1-Pivaloyloxy-1,2,5,6-tetrahydropyridine-3-carbaldehyde O-methyl oxime, 5-[(methoxyimino)methyl]-1,2,3,6-tetrahydropyridin-1-yl 2,2-dimethylpropanoate, RefChem:1068621, BRN 5816510
| Molecular Formula | C12H20N2O3 |
|---|---|
| Molecular Weight | 240.15 g/mol |
| LogP | 1.755 |
| Topological Polar Surface Area | 51.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.1474 |
| Heavy Atoms | 17 |
| Complexity | 329.13266 |
Chemical Identifiers
| CAS Number | 145071-53-0 |
|---|---|
| SMILES | CC(C)(C)C(=O)ON1CCC=C(C1)/C=N/OC |
Product Overview
RefChem:1068621 (CAS 145071-53-0), with molecular formula C12H20N2O3 and molecular weight 240.15 g/mol. IUPAC: [5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridin-1-yl] 2,2-dimethylpropanoate.
Chemical Property Profile of RefChem:1068621
Property Insights of RefChem:1068621
The XLogP value of 1.755 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1068621. With a topological polar surface area (TPSA) of 51.13 Ų, RefChem:1068621 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1068621 has 0 hydrogen bond donor(s) and 5 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 RefChem:1068621?
The CAS number of RefChem:1068621 is 145071-53-0.
What is the molecular formula of RefChem:1068621?
The molecular formula of RefChem:1068621 is C12H20N2O3.
What is the molecular weight of RefChem:1068621?
The molecular weight of RefChem:1068621 is 240.15 g/mol.
Where can I buy RefChem:1068621?
You can request a quote for RefChem:1068621 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1068621?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1068621 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.