![1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde structure](/static/products/878/878427-46-4.png)
1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
TL;DR: 1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde (CAS 878427-46-4) is a chemical compound with molecular formula C16H17NO3 and molecular weight 271.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,5-dimethylpyrrole-3-carbaldehyde
Also Known As: 1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde, BAS 12968464, 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,5-dimethylpyrrole-3-carbaldehyde, 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde, 1-(2H,3H,4H-benzo[b]1,4-dioxepin-7-yl)-2,5-dimethylpyrrole-3-carbaldehyde
| Molecular Formula | C16H17NO3 |
|---|---|
| Molecular Weight | 271.12 g/mol |
| LogP | 3.06794 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.12085 |
| Heavy Atoms | 20 |
| Complexity | 657.9819 |
Chemical Identifiers
| CAS Number | 878427-46-4 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC3=C(C=C2)OCCCO3)C)C=O |
Product Overview
1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde (CAS 878427-46-4), with molecular formula C16H17NO3 and molecular weight 271.12 g/mol. IUPAC: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,5-dimethylpyrrole-3-carbaldehyde.
Chemical Property Profile of 1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
Property Insights of 1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
The XLogP value of 3.06794 indicates that 1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.46 Ų, 1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde has 0 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 1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde?
The CAS number of 1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde is 878427-46-4.
What is the molecular formula of 1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde?
The molecular formula of 1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde is C16H17NO3.
What is the molecular weight of 1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde?
The molecular weight of 1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde is 271.12 g/mol.
Where can I buy 1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde?
You can request a quote for 1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.