N-(4-phenylbutan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
TL;DR: N-(4-phenylbutan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CAS 331964-71-7) is a chemical compound with molecular formula C19H21NO3 and molecular weight 311.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-phenylbutan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Also Known As: BAS 00700643, N-(4-phenylbutan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide, AB00088138-01, AE-848/11105455, N-(1-methyl-3-phenylpropyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
| Molecular Formula | C19H21NO3 |
|---|---|
| Molecular Weight | 311.15 g/mol |
| LogP | 2.9639 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.15213 |
| Heavy Atoms | 23 |
| Complexity | 656.67413 |
Chemical Identifiers
| CAS Number | 331964-71-7 |
|---|---|
| SMILES | CC(CCC1=CC=CC=C1)NC(=O)C2COC3=CC=CC=C3O2 |
Product Overview
N-(4-phenylbutan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CAS 331964-71-7), with molecular formula C19H21NO3 and molecular weight 311.15 g/mol. IUPAC: N-(4-phenylbutan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
Chemical Property Profile of N-(4-phenylbutan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Property Insights of N-(4-phenylbutan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
The XLogP value of 2.9639 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-phenylbutan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide. With a topological polar surface area (TPSA) of 47.56 Ų, N-(4-phenylbutan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-phenylbutan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-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-(4-phenylbutan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The CAS number of N-(4-phenylbutan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is 331964-71-7.
What is the molecular formula of N-(4-phenylbutan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The molecular formula of N-(4-phenylbutan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is C19H21NO3.
What is the molecular weight of N-(4-phenylbutan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The molecular weight of N-(4-phenylbutan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is 311.15 g/mol.
Where can I buy N-(4-phenylbutan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
You can request a quote for N-(4-phenylbutan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-phenylbutan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-phenylbutan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.