N-(2-bromo-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
TL;DR: N-(2-bromo-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CAS 851186-05-5) is a chemical compound with molecular formula C16H14BrNO3 and molecular weight 347.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromo-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Also Known As: N-(2-bromo-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide, 2H,3H-benzo[3,4-e]1,4-dioxin-6-yl-N-(2-bromo-4-methylphenyl)carboxamide
| Molecular Formula | C16H14BrNO3 |
|---|---|
| Molecular Weight | 347.02 g/mol |
| LogP | 3.78102 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 347.01572 |
| Heavy Atoms | 21 |
| Complexity | 699.9166 |
Chemical Identifiers
| CAS Number | 851186-05-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCCO3)Br |
Product Overview
N-(2-bromo-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CAS 851186-05-5), with molecular formula C16H14BrNO3 and molecular weight 347.02 g/mol. IUPAC: N-(2-bromo-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
Chemical Property Profile of N-(2-bromo-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Property Insights of N-(2-bromo-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
The XLogP value of 3.78102 indicates that N-(2-bromo-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, N-(2-bromo-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-bromo-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has 1 hydrogen bond donor(s) and 3 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-(2-bromo-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The CAS number of N-(2-bromo-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is 851186-05-5.
What is the molecular formula of N-(2-bromo-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The molecular formula of N-(2-bromo-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is C16H14BrNO3.
What is the molecular weight of N-(2-bromo-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The molecular weight of N-(2-bromo-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is 347.02 g/mol.
Where can I buy N-(2-bromo-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
You can request a quote for N-(2-bromo-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-bromo-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-bromo-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.