RefChem:1051420
TL;DR: RefChem:1051420 (CAS 145071-34-7) 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.
butyl 5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridine-1-carboxylate
Also Known As: Butyl (E)-3,6-dihydro-5-((methoxyimino)methyl)-1(2H)-pyridinecarboxylate, 1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-5-((methoxyimino)methyl)-, butyl ester, (E)-, butyl 5-[(methoxyimino)methyl]-1,2,3,6-tetrahydropyridine-1-carboxylate, 1,2,5,6-Tetrahydro-3-methoxyiminomethyl-1-pyridinecarboxylic acid butyl ester, RefChem:1051420
| Molecular Formula | C12H20N2O3 |
|---|---|
| Molecular Weight | 240.15 g/mol |
| LogP | 2.1874 |
| Topological Polar Surface Area | 51.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 240.1474 |
| Heavy Atoms | 17 |
| Complexity | 300.12585 |
Chemical Identifiers
| CAS Number | 145071-34-7 |
|---|---|
| SMILES | CCCCOC(=O)N1CCC=C(C1)/C=N/OC |
Product Overview
RefChem:1051420 (CAS 145071-34-7), with molecular formula C12H20N2O3 and molecular weight 240.15 g/mol. IUPAC: butyl 5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridine-1-carboxylate.
Chemical Property Profile of RefChem:1051420
Property Insights of RefChem:1051420
The XLogP value of 2.1874 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1051420. With a topological polar surface area (TPSA) of 51.13 Ų, RefChem:1051420 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1051420 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 RefChem:1051420?
The CAS number of RefChem:1051420 is 145071-34-7.
What is the molecular formula of RefChem:1051420?
The molecular formula of RefChem:1051420 is C12H20N2O3.
What is the molecular weight of RefChem:1051420?
The molecular weight of RefChem:1051420 is 240.15 g/mol.
Where can I buy RefChem:1051420?
You can request a quote for RefChem:1051420 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1051420?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1051420 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.