5H-1,4-Benzodioxepin-5-one, 2,3-dihydro-3-((bis(1-methylethyl)amino)methyl)-
TL;DR: 5H-1,4-Benzodioxepin-5-one, 2,3-dihydro-3-((bis(1-methylethyl)amino)methyl)- (CAS 5466-27-3) is a chemical compound with molecular formula C16H23NO3 and molecular weight 277.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[di(propan-2-yl)amino]methyl]-2,3-dihydro-1,4-benzodioxepin-5-one
Also Known As: 5-19-08-00642 (Beilstein Handbook Reference), 2,3-Dihydro-3-((bis(1-methylethyl)amino)methyl)-5H-1,4-benzodioxepin-5-one, 5H-1,4-Benzodioxepin-5-one, 2,3-dihydro-3-((bis(1-methylethyl)amino)methyl)-, 3-[(dipropan-2-ylamino)methyl]-2,3-dihydro-5h-1,4-benzodioxepin-5-one, 3-[[di(propan-2-yl)amino]methyl]-2,3-dihydro-1,4-benzodioxepin-5-one
| Molecular Formula | C16H23NO3 |
|---|---|
| Molecular Weight | 277.17 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.1678 |
| Heavy Atoms | 20 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 5466-27-3 |
|---|---|
| SMILES | CC(C)N(CC1COC2=CC=CC=C2C(=O)O1)C(C)C |
| InChIKey | AWCKUTVOPBJGLZ-UHFFFAOYSA-N |
Product Overview
5H-1,4-Benzodioxepin-5-one, 2,3-dihydro-3-((bis(1-methylethyl)amino)methyl)- (CAS 5466-27-3), with molecular formula C16H23NO3 and molecular weight 277.17 g/mol. IUPAC: 3-[[di(propan-2-yl)amino]methyl]-2,3-dihydro-1,4-benzodioxepin-5-one.
Chemical Property Profile of 5H-1,4-Benzodioxepin-5-one, 2,3-dihydro-3-((bis(1-methylethyl)amino)methyl)-
Property Insights of 5H-1,4-Benzodioxepin-5-one, 2,3-dihydro-3-((bis(1-methylethyl)amino)methyl)-
The XLogP value of 3.2 indicates that 5H-1,4-Benzodioxepin-5-one, 2,3-dihydro-3-((bis(1-methylethyl)amino)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, 5H-1,4-Benzodioxepin-5-one, 2,3-dihydro-3-((bis(1-methylethyl)amino)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5H-1,4-Benzodioxepin-5-one, 2,3-dihydro-3-((bis(1-methylethyl)amino)methyl)- 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 5H-1,4-Benzodioxepin-5-one, 2,3-dihydro-3-((bis(1-methylethyl)amino)methyl)-?
The CAS number of 5H-1,4-Benzodioxepin-5-one, 2,3-dihydro-3-((bis(1-methylethyl)amino)methyl)- is 5466-27-3.
What is the molecular formula of 5H-1,4-Benzodioxepin-5-one, 2,3-dihydro-3-((bis(1-methylethyl)amino)methyl)-?
The molecular formula of 5H-1,4-Benzodioxepin-5-one, 2,3-dihydro-3-((bis(1-methylethyl)amino)methyl)- is C16H23NO3.
What is the molecular weight of 5H-1,4-Benzodioxepin-5-one, 2,3-dihydro-3-((bis(1-methylethyl)amino)methyl)-?
The molecular weight of 5H-1,4-Benzodioxepin-5-one, 2,3-dihydro-3-((bis(1-methylethyl)amino)methyl)- is 277.17 g/mol.
Where can I buy 5H-1,4-Benzodioxepin-5-one, 2,3-dihydro-3-((bis(1-methylethyl)amino)methyl)-?
You can request a quote for 5H-1,4-Benzodioxepin-5-one, 2,3-dihydro-3-((bis(1-methylethyl)amino)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-1,4-Benzodioxepin-5-one, 2,3-dihydro-3-((bis(1-methylethyl)amino)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for 5H-1,4-Benzodioxepin-5-one, 2,3-dihydro-3-((bis(1-methylethyl)amino)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.