N-(4-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
TL;DR: N-(4-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide (CAS 853891-27-7) is a chemical compound with molecular formula C17H17NO3 and molecular weight 283.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Also Known As: N-(4-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide, 2H,3H,4H-benzo[b]1,4-dioxepin-7-yl-N-(4-methylphenyl)carboxamide, N-(4-methylphenyl)-2,6-dioxabicyclo[5.4.0]undeca-8,10,12-triene-10-carboxamide
| Molecular Formula | C17H17NO3 |
|---|---|
| Molecular Weight | 283.12 g/mol |
| LogP | 3.40862 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.12085 |
| Heavy Atoms | 21 |
| Complexity | 649.58484 |
Chemical Identifiers
| CAS Number | 853891-27-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCCCO3 |
Product Overview
N-(4-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide (CAS 853891-27-7), with molecular formula C17H17NO3 and molecular weight 283.12 g/mol. IUPAC: N-(4-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide.
Chemical Property Profile of N-(4-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Property Insights of N-(4-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
The XLogP value of 3.40862 indicates that N-(4-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-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-(4-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-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-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide?
The CAS number of N-(4-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide is 853891-27-7.
What is the molecular formula of N-(4-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide?
The molecular formula of N-(4-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide is C17H17NO3.
What is the molecular weight of N-(4-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide?
The molecular weight of N-(4-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide is 283.12 g/mol.
Where can I buy N-(4-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide?
You can request a quote for N-(4-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-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-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.