N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)aniline
TL;DR: N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)aniline (CAS 332099-66-8) is a chemical compound with molecular formula C16H17NO2 and molecular weight 255.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)aniline
Also Known As: ChemDiv3_001925, IDI1_020891, BAS 01108899, N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)aniline, AJ-292/12785085
| Molecular Formula | C16H17NO2 |
|---|---|
| Molecular Weight | 255.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 30.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.12593 |
| Heavy Atoms | 19 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 332099-66-8 |
|---|---|
| SMILES | C1C2=CC=CC=C2COC(O1)CNC3=CC=CC=C3 |
| InChIKey | KUJMIJGEYUBSNU-UHFFFAOYSA-N |
Product Overview
N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)aniline (CAS 332099-66-8), with molecular formula C16H17NO2 and molecular weight 255.13 g/mol. IUPAC: N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)aniline.
Chemical Property Profile of N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)aniline
Property Insights of N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)aniline
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)aniline. With a topological polar surface area (TPSA) of 30.5 Ų, N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)aniline 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-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)aniline?
The CAS number of N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)aniline is 332099-66-8.
What is the molecular formula of N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)aniline?
The molecular formula of N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)aniline is C16H17NO2.
What is the molecular weight of N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)aniline?
The molecular weight of N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)aniline is 255.13 g/mol.
Where can I buy N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)aniline?
You can request a quote for N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.