3-Pyridinecarboxaldehyde, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime
TL;DR: 3-Pyridinecarboxaldehyde, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime (CAS 102206-43-9) is a chemical compound with molecular formula C14H11N3O4 and molecular weight 285.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-pyridin-3-ylmethylideneamino] N-(1,3-benzodioxol-5-yl)carbamate
Also Known As: 3-Pyridinecarboxaldehyde, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime, 3-Pyridinecarbaldehyde O-(1,3-benzodioxol-5-ylcarbamoyl)oxime, [(pyridin-3-yl)methylidene]amino N-(2H-1,3-benzodioxol-5-yl)carbamate, RefChem:1068644
| Molecular Formula | C14H11N3O4 |
|---|---|
| Molecular Weight | 285.07 g/mol |
| LogP | 2.3929 |
| Topological Polar Surface Area | 82.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.07495 |
| Heavy Atoms | 21 |
| Complexity | 673.17426 |
Chemical Identifiers
| CAS Number | 102206-43-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)O/N=C/C3=CN=CC=C3 |
Product Overview
3-Pyridinecarboxaldehyde, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime (CAS 102206-43-9), with molecular formula C14H11N3O4 and molecular weight 285.07 g/mol. IUPAC: [(E)-pyridin-3-ylmethylideneamino] N-(1,3-benzodioxol-5-yl)carbamate.
Chemical Property Profile of 3-Pyridinecarboxaldehyde, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime
Property Insights of 3-Pyridinecarboxaldehyde, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime
The XLogP value of 2.3929 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinecarboxaldehyde, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime. The TPSA of 82.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pyridinecarboxaldehyde, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime. Following Lipinski's Rule of Five, 3-Pyridinecarboxaldehyde, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime has 1 hydrogen bond donor(s) and 6 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 3-Pyridinecarboxaldehyde, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime?
The CAS number of 3-Pyridinecarboxaldehyde, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime is 102206-43-9.
What is the molecular formula of 3-Pyridinecarboxaldehyde, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime?
The molecular formula of 3-Pyridinecarboxaldehyde, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime is C14H11N3O4.
What is the molecular weight of 3-Pyridinecarboxaldehyde, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime?
The molecular weight of 3-Pyridinecarboxaldehyde, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime is 285.07 g/mol.
Where can I buy 3-Pyridinecarboxaldehyde, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime?
You can request a quote for 3-Pyridinecarboxaldehyde, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinecarboxaldehyde, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxaldehyde, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.