CID 72838
TL;DR: CID 72838 (CAS 28058-44-8) is a chemical compound with molecular formula C13H10N4O4 and molecular weight 286.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethylideneamino)-5-nitropyridin-2-amine
Also Known As: Piperonal, (5-nitro-2-pyridyl)hydrazone, 1,3-benzodioxole-5-carbaldehyde {5-nitro-2-pyridinyl}hydrazone, 1,3-Benzodioxole-5-carboxaldehyde,2-(5-nitro-2-pyridinyl)hydrazone, N-(1,3-benzodioxol-5-ylmethylideneamino)-5-nitropyridin-2-amine
| Molecular Formula | C13H10N4O4 |
|---|---|
| Molecular Weight | 286.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.0702 |
| Heavy Atoms | 21 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 28058-44-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C=NNC3=NC=C(C=C3)[N+](=O)[O-] |
| InChIKey | VPFYTRFENPZHFQ-UHFFFAOYSA-N |
Product Overview
CID 72838 (CAS 28058-44-8), with molecular formula C13H10N4O4 and molecular weight 286.07 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethylideneamino)-5-nitropyridin-2-amine.
Chemical Property Profile of CID 72838
Property Insights of CID 72838
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CID 72838. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CID 72838. Following Lipinski's Rule of Five, CID 72838 has 1 hydrogen bond donor(s) and 7 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 CID 72838?
The CAS number of CID 72838 is 28058-44-8.
What is the molecular formula of CID 72838?
The molecular formula of CID 72838 is C13H10N4O4.
What is the molecular weight of CID 72838?
The molecular weight of CID 72838 is 286.07 g/mol.
Where can I buy CID 72838?
You can request a quote for CID 72838 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CID 72838?
Yes, KEHONG BIO provides custom synthesis services for CID 72838 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.