N-(pyrimidin-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
TL;DR: N-(pyrimidin-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide (CAS 92018-04-7) is a chemical compound with molecular formula C13H11N3O3 and molecular weight 257.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-pyrimidin-2-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Also Known As: N-(pyrimidin-2-yl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide, N-pyrimidin-2-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide, N-(pyrimidin-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
| Molecular Formula | C13H11N3O3 |
|---|---|
| Molecular Weight | 257.08 g/mol |
| LogP | 1.2551 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.08005 |
| Heavy Atoms | 19 |
| Complexity | 588.69714 |
Chemical Identifiers
| CAS Number | 92018-04-7 |
|---|---|
| SMILES | C1C(OC2=CC=CC=C2O1)C(=O)NC3=NC=CC=N3 |
Product Overview
N-(pyrimidin-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide (CAS 92018-04-7), with molecular formula C13H11N3O3 and molecular weight 257.08 g/mol. IUPAC: N-pyrimidin-2-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
Chemical Property Profile of N-(pyrimidin-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Property Insights of N-(pyrimidin-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
The XLogP value of 1.2551 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(pyrimidin-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide. The TPSA of 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(pyrimidin-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide. Following Lipinski's Rule of Five, N-(pyrimidin-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide has 1 hydrogen bond donor(s) and 5 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 N-(pyrimidin-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide?
The CAS number of N-(pyrimidin-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide is 92018-04-7.
What is the molecular formula of N-(pyrimidin-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide?
The molecular formula of N-(pyrimidin-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide is C13H11N3O3.
What is the molecular weight of N-(pyrimidin-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide?
The molecular weight of N-(pyrimidin-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide is 257.08 g/mol.
Where can I buy N-(pyrimidin-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide?
You can request a quote for N-(pyrimidin-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(pyrimidin-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(pyrimidin-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.