7-(p-Aminobenzoyl)-1,5-benzodioxepane hydrochloride
TL;DR: 7-(p-Aminobenzoyl)-1,5-benzodioxepane hydrochloride (CAS 123769-55-1) is a chemical compound with molecular formula C16H16ClNO3 and molecular weight 305.08188 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-aminophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone;hydrochloride
Also Known As: 7-(p-Aminobenzoyl)-1,5-benzodioxepane hydrochloride, Methanone, (4-aminophenyl)(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-, hydrochloride, (4-Aminophenyl)(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone hydrochloride, (4-aminophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)metha, (4-Aminophenyl)(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C16H16ClNO3 |
| Molecular Weight | 305.08188 g/mol |
| XLogP | 3.0829 |
| Topological Polar Surface Area (TPSA) | 61.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.08188 Da |
| Heavy Atoms | 21 |
| Complexity | 339.0 |
| SMILES | C1COC2=C(C=C(C=C2)C(=O)C3=CC=C(C=C3)N)OC1.Cl |
| InChIKey | UEWNEXOUTKUPLM-UHFFFAOYSA-N |
Chemical Property Profile of 7-(p-Aminobenzoyl)-1,5-benzodioxepane hydrochloride
Property Insights of 7-(p-Aminobenzoyl)-1,5-benzodioxepane hydrochloride
The XLogP value of 3.0829 indicates that 7-(p-Aminobenzoyl)-1,5-benzodioxepane hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(p-Aminobenzoyl)-1,5-benzodioxepane hydrochloride. Following Lipinski's Rule of Five, 7-(p-Aminobenzoyl)-1,5-benzodioxepane hydrochloride has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 7-(p-Aminobenzoyl)-1,5-benzodioxepane hydrochloride?
The CAS number of 7-(p-Aminobenzoyl)-1,5-benzodioxepane hydrochloride is 123769-55-1.
What is the molecular formula of 7-(p-Aminobenzoyl)-1,5-benzodioxepane hydrochloride?
The molecular formula of 7-(p-Aminobenzoyl)-1,5-benzodioxepane hydrochloride is C16H16ClNO3.
What is the molecular weight of 7-(p-Aminobenzoyl)-1,5-benzodioxepane hydrochloride?
The molecular weight of 7-(p-Aminobenzoyl)-1,5-benzodioxepane hydrochloride is 305.08188 g/mol.
Where can I buy 7-(p-Aminobenzoyl)-1,5-benzodioxepane hydrochloride?
You can request a quote for 7-(p-Aminobenzoyl)-1,5-benzodioxepane hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-(p-Aminobenzoyl)-1,5-benzodioxepane hydrochloride?
Yes, CoreyChem provides custom synthesis services for 7-(p-Aminobenzoyl)-1,5-benzodioxepane hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.