![[1-(1,3-Benzodioxol-5-ylamino)-1-oxopropan-2-yl] pyridine-3-carboxylate structure](/static/products/7309/730994-70-4.webp)
[1-(1,3-Benzodioxol-5-ylamino)-1-oxopropan-2-yl] pyridine-3-carboxylate
TL;DR: [1-(1,3-Benzodioxol-5-ylamino)-1-oxopropan-2-yl] pyridine-3-carboxylate (CAS 730994-70-4) is a chemical compound with molecular formula C16H14N2O5 and molecular weight 314.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] pyridine-3-carboxylate
Also Known As: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] pyridine-3-carboxylate, 1-[(2H-1,3-Benzodioxol-5-yl)amino]-1-oxopropan-2-yl pyridine-3-carboxylate
| Molecular Formula | C16H14N2O5 |
|---|---|
| Molecular Weight | 314.09 g/mol |
| LogP | 1.9943 |
| Topological Polar Surface Area | 86.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.09027 |
| Heavy Atoms | 23 |
| Complexity | 732.5054 |
Chemical Identifiers
| CAS Number | 730994-70-4 |
|---|---|
| SMILES | CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CN=CC=C3 |
Product Overview
[1-(1,3-Benzodioxol-5-ylamino)-1-oxopropan-2-yl] pyridine-3-carboxylate (CAS 730994-70-4), with molecular formula C16H14N2O5 and molecular weight 314.09 g/mol. IUPAC: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] pyridine-3-carboxylate.
Chemical Property Profile of [1-(1,3-Benzodioxol-5-ylamino)-1-oxopropan-2-yl] pyridine-3-carboxylate
Property Insights of [1-(1,3-Benzodioxol-5-ylamino)-1-oxopropan-2-yl] pyridine-3-carboxylate
The XLogP value of 1.9943 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [1-(1,3-Benzodioxol-5-ylamino)-1-oxopropan-2-yl] pyridine-3-carboxylate. The TPSA of 86.75 Ų falls within the moderate polarity range, balancing permeability and solubility for [1-(1,3-Benzodioxol-5-ylamino)-1-oxopropan-2-yl] pyridine-3-carboxylate. Following Lipinski's Rule of Five, [1-(1,3-Benzodioxol-5-ylamino)-1-oxopropan-2-yl] pyridine-3-carboxylate 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 [1-(1,3-Benzodioxol-5-ylamino)-1-oxopropan-2-yl] pyridine-3-carboxylate?
The CAS number of [1-(1,3-Benzodioxol-5-ylamino)-1-oxopropan-2-yl] pyridine-3-carboxylate is 730994-70-4.
What is the molecular formula of [1-(1,3-Benzodioxol-5-ylamino)-1-oxopropan-2-yl] pyridine-3-carboxylate?
The molecular formula of [1-(1,3-Benzodioxol-5-ylamino)-1-oxopropan-2-yl] pyridine-3-carboxylate is C16H14N2O5.
What is the molecular weight of [1-(1,3-Benzodioxol-5-ylamino)-1-oxopropan-2-yl] pyridine-3-carboxylate?
The molecular weight of [1-(1,3-Benzodioxol-5-ylamino)-1-oxopropan-2-yl] pyridine-3-carboxylate is 314.09 g/mol.
Where can I buy [1-(1,3-Benzodioxol-5-ylamino)-1-oxopropan-2-yl] pyridine-3-carboxylate?
You can request a quote for [1-(1,3-Benzodioxol-5-ylamino)-1-oxopropan-2-yl] pyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-(1,3-Benzodioxol-5-ylamino)-1-oxopropan-2-yl] pyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [1-(1,3-Benzodioxol-5-ylamino)-1-oxopropan-2-yl] pyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.