RefChem:1068616
TL;DR: RefChem:1068616 (CAS 145071-60-9) is a chemical compound with molecular formula C14H17N3O3 and molecular weight 275.13 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] N-phenylcarbamate
Also Known As: 3-Pyridinecarboxaldehyde, 1,2,5,6-tetrahydro-1-(((phenylamino)carbonyl)oxy)-, 3-(O-methyloxime), (E)-, 5-[(methoxyimino)methyl]-1,2,3,6-tetrahydropyridin-1-yl N-phenylcarbamate, 1-(Phenylcarbamoyl)oxy-1,2,5,6-tetrahydropyridine-3-carbaldehyde O-methyl oxime, RefChem:1068616, BRN 5822371
| Molecular Formula | C14H17N3O3 |
|---|---|
| Molecular Weight | 275.13 g/mol |
| LogP | 2.4144 |
| Topological Polar Surface Area | 63.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.12698 |
| Heavy Atoms | 20 |
| Complexity | 499.64542 |
Chemical Identifiers
| CAS Number | 145071-60-9 |
|---|---|
| SMILES | CO/N=C/C1=CCCN(C1)OC(=O)NC2=CC=CC=C2 |
Product Overview
RefChem:1068616 (CAS 145071-60-9), with molecular formula C14H17N3O3 and molecular weight 275.13 g/mol. IUPAC: [5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridin-1-yl] N-phenylcarbamate.
Chemical Property Profile of RefChem:1068616
Property Insights of RefChem:1068616
The XLogP value of 2.4144 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1068616. The TPSA of 63.16 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1068616. Following Lipinski's Rule of Five, RefChem:1068616 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
Frequently Asked Questions
What is the CAS number of RefChem:1068616?
The CAS number of RefChem:1068616 is 145071-60-9.
What is the molecular formula of RefChem:1068616?
The molecular formula of RefChem:1068616 is C14H17N3O3.
What is the molecular weight of RefChem:1068616?
The molecular weight of RefChem:1068616 is 275.13 g/mol.
Where can I buy RefChem:1068616?
You can request a quote for RefChem:1068616 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1068616?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1068616 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.