2-Pyridinecarboxaldehyde, O-((p-tolylsulfonyl)carbamoyl)oxime
TL;DR: 2-Pyridinecarboxaldehyde, O-((p-tolylsulfonyl)carbamoyl)oxime (CAS 102206-49-5) is a chemical compound with molecular formula C14H13N3O4S and molecular weight 319.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-pyridin-2-ylmethylideneamino] N-(4-methylphenyl)sulfonylcarbamate
Also Known As: 2-Pyridinecarboxaldehyde, O-((p-tolylsulfonyl)carbamoyl)oxime, p-Toluenesulfonylcarbamic acid, ester with 2-pyridinealdoxime, 2-Pyridinecarbaldehyde O-(p-tolylsulfonyl)carbamoyl oxime, [(pyridin-2-yl)methylidene]amino N-(4-methylbenzenesulfonyl)carbamate, RefChem:1064658
| Molecular Formula | C14H13N3O4S |
|---|---|
| Molecular Weight | 319.06 g/mol |
| LogP | 1.83902 |
| Topological Polar Surface Area | 97.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.06268 |
| Heavy Atoms | 22 |
| Complexity | 771.49506 |
Chemical Identifiers
| CAS Number | 102206-49-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(=O)O/N=C/C2=CC=CC=N2 |
Product Overview
2-Pyridinecarboxaldehyde, O-((p-tolylsulfonyl)carbamoyl)oxime (CAS 102206-49-5), with molecular formula C14H13N3O4S and molecular weight 319.06 g/mol. IUPAC: [(E)-pyridin-2-ylmethylideneamino] N-(4-methylphenyl)sulfonylcarbamate.
Chemical Property Profile of 2-Pyridinecarboxaldehyde, O-((p-tolylsulfonyl)carbamoyl)oxime
Property Insights of 2-Pyridinecarboxaldehyde, O-((p-tolylsulfonyl)carbamoyl)oxime
The XLogP value of 1.83902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyridinecarboxaldehyde, O-((p-tolylsulfonyl)carbamoyl)oxime. The TPSA of 97.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Pyridinecarboxaldehyde, O-((p-tolylsulfonyl)carbamoyl)oxime. Following Lipinski's Rule of Five, 2-Pyridinecarboxaldehyde, O-((p-tolylsulfonyl)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 2-Pyridinecarboxaldehyde, O-((p-tolylsulfonyl)carbamoyl)oxime?
The CAS number of 2-Pyridinecarboxaldehyde, O-((p-tolylsulfonyl)carbamoyl)oxime is 102206-49-5.
What is the molecular formula of 2-Pyridinecarboxaldehyde, O-((p-tolylsulfonyl)carbamoyl)oxime?
The molecular formula of 2-Pyridinecarboxaldehyde, O-((p-tolylsulfonyl)carbamoyl)oxime is C14H13N3O4S.
What is the molecular weight of 2-Pyridinecarboxaldehyde, O-((p-tolylsulfonyl)carbamoyl)oxime?
The molecular weight of 2-Pyridinecarboxaldehyde, O-((p-tolylsulfonyl)carbamoyl)oxime is 319.06 g/mol.
Where can I buy 2-Pyridinecarboxaldehyde, O-((p-tolylsulfonyl)carbamoyl)oxime?
You can request a quote for 2-Pyridinecarboxaldehyde, O-((p-tolylsulfonyl)carbamoyl)oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyridinecarboxaldehyde, O-((p-tolylsulfonyl)carbamoyl)oxime?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyridinecarboxaldehyde, O-((p-tolylsulfonyl)carbamoyl)oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.