![{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl 5-bromopyridine-3-carboxylate structure](/static/products/3873/387381-95-5.webp)
{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl 5-bromopyridine-3-carboxylate
TL;DR: {[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl 5-bromopyridine-3-carboxylate (CAS 387381-95-5) is a chemical compound with molecular formula C16H13BrN2O5 and molecular weight 392.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
Also Known As: starbld0008882, 2-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-2-oxoethyl 5-bromonicotinate, {[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl 5-bromopyridine-3-carboxylate, [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate, 2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl 5-bromopyridine-3-carboxylate
| Molecular Formula | C16H13BrN2O5 |
|---|---|
| Molecular Weight | 392.00 g/mol |
| LogP | 2.046 |
| Topological Polar Surface Area | 86.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.0008 |
| Heavy Atoms | 24 |
| Complexity | 780.8131 |
Chemical Identifiers
| CAS Number | 387381-95-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=CC(=CN=C3)Br |
Product Overview
{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl 5-bromopyridine-3-carboxylate (CAS 387381-95-5), with molecular formula C16H13BrN2O5 and molecular weight 392.00 g/mol. IUPAC: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate.
Chemical Property Profile of {[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl 5-bromopyridine-3-carboxylate
Property Insights of {[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl 5-bromopyridine-3-carboxylate
The XLogP value of 2.046 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl 5-bromopyridine-3-carboxylate. The TPSA of 86.75 Ų falls within the moderate polarity range, balancing permeability and solubility for {[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl 5-bromopyridine-3-carboxylate. Following Lipinski's Rule of Five, {[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl 5-bromopyridine-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 {[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl 5-bromopyridine-3-carboxylate?
The CAS number of {[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl 5-bromopyridine-3-carboxylate is 387381-95-5.
What is the molecular formula of {[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl 5-bromopyridine-3-carboxylate?
The molecular formula of {[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl 5-bromopyridine-3-carboxylate is C16H13BrN2O5.
What is the molecular weight of {[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl 5-bromopyridine-3-carboxylate?
The molecular weight of {[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl 5-bromopyridine-3-carboxylate is 392.00 g/mol.
Where can I buy {[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl 5-bromopyridine-3-carboxylate?
You can request a quote for {[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl 5-bromopyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl 5-bromopyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for {[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl 5-bromopyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.