2-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-1H-isoindole-1,3(2H)-dione
TL;DR: 2-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-1H-isoindole-1,3(2H)-dione (CAS 334506-97-7) is a chemical compound with molecular formula C18H15NO4 and molecular weight 309.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)isoindole-1,3-dione
Also Known As: ChemDiv3_001231, IDI1_020197, BAS 01077457, BRD-K53597525-001-01-0, 2-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)isoindole-1,3-dione
| Molecular Formula | C18H15NO4 |
|---|---|
| Molecular Weight | 309.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.1001 |
| Heavy Atoms | 23 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 334506-97-7 |
|---|---|
| SMILES | C1C2=CC=CC=C2COC(O1)CN3C(=O)C4=CC=CC=C4C3=O |
| InChIKey | KQXGHCBCHBTGRN-UHFFFAOYSA-N |
Product Overview
2-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-1H-isoindole-1,3(2H)-dione (CAS 334506-97-7), with molecular formula C18H15NO4 and molecular weight 309.10 g/mol. IUPAC: 2-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)isoindole-1,3-dione.
Chemical Property Profile of 2-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-1H-isoindole-1,3(2H)-dione
Property Insights of 2-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-1H-isoindole-1,3(2H)-dione
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-1H-isoindole-1,3(2H)-dione. With a topological polar surface area (TPSA) of 55.8 Ų, 2-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-1H-isoindole-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-1H-isoindole-1,3(2H)-dione has 0 hydrogen bond donor(s) and 4 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 2-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-1H-isoindole-1,3(2H)-dione is 334506-97-7.
What is the molecular formula of 2-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-1H-isoindole-1,3(2H)-dione is C18H15NO4.
What is the molecular weight of 2-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-1H-isoindole-1,3(2H)-dione is 309.10 g/mol.
Where can I buy 2-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-1H-isoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.