RefChem:1068614
TL;DR: RefChem:1068614 (CAS 145071-59-6) is a chemical compound with molecular formula C12H21N3O3 and molecular weight 255.1583 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridin-1-yl] N-butylcarbamate
Also Known As: 3-Pyridinecarboxaldehyde, 1,2,5,6-tetrahydro-1-(((butylamino)carbonyl)oxy)-, 3-(O-methyloxime), (E)-, 5-[(methoxyimino)methyl]-1,2,3,6-tetrahydropyridin-1-yl N-butylcarbamate, 1-(Butylcarbamoyl)oxy-1,2,5,6-tetrahydropyridine-3-carbaldehyde O-methyl oxime, BRN 5817330
Technical Specifications
| Molecular Formula | C12H21N3O3 |
| Molecular Weight | 255.1583 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 63.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 255.1583 Da |
| Heavy Atoms | 18 |
| Complexity | 316.0 |
| SMILES | CCCCNC(=O)ON1CCC=C(C1)/C=N/OC |
| InChIKey | HKRNLKJEZNSZMD-NTEUORMPSA-N |
Chemical Property Profile of RefChem:1068614
Property Insights of RefChem:1068614
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1068614. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1068614. Following Lipinski's Rule of Five, RefChem:1068614 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1068614?
The CAS number of RefChem:1068614 is 145071-59-6.
What is the molecular formula of RefChem:1068614?
The molecular formula of RefChem:1068614 is C12H21N3O3.
What is the molecular weight of RefChem:1068614?
The molecular weight of RefChem:1068614 is 255.1583 g/mol.
Where can I buy RefChem:1068614?
You can request a quote for RefChem:1068614 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1068614?
Yes, CoreyChem provides custom synthesis services for RefChem:1068614 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.