![N,N-diethyl-2,2-dioxo-4,5,6,7-tetrahydro-3H-benzo[1,2]cycloh structure](/static/products/6580/65800-29-5.webp)
N,N-diethyl-2,2-dioxo-4,5,6,7-tetrahydro-3H-benzo[1,2]cycloh
TL;DR: N,N-diethyl-2,2-dioxo-4,5,6,7-tetrahydro-3H-benzo[1,2]cycloh (CAS 65800-29-5) is a chemical compound with molecular formula C17H23NO3S and molecular weight 321.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-4,4-dioxo-3-oxa-4λ6-thiatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),11,13-tetraen-6-amine
Also Known As: N,N-diethyl-2,2-dioxo-4,5,6,7-tetrahydro-3H-benzo[1,2]cycloh, 4-(Diethylamino)-4,5,6,7-tetrahydro-2lambda~6~-benzo[3,4]cyclohepta[1,2-e][1,2]oxathiine-2,2(3H)-dione, N,N-diethyl-4,4-dioxo-3-oxa-4lambda6-thiatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),11,13-tetraen-6-amine
| Molecular Formula | C17H23NO3S |
|---|---|
| Molecular Weight | 321.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.13986 |
| Heavy Atoms | 22 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 65800-29-5 |
|---|---|
| SMILES | CCN(CC)C1CS(=O)(=O)OC2=C1CCCC3=CC=CC=C32 |
| InChIKey | DYNUARQSAVSHHB-UHFFFAOYSA-N |
Product Overview
N,N-diethyl-2,2-dioxo-4,5,6,7-tetrahydro-3H-benzo[1,2]cycloh (CAS 65800-29-5), with molecular formula C17H23NO3S and molecular weight 321.14 g/mol. IUPAC: N,N-diethyl-4,4-dioxo-3-oxa-4λ6-thiatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),11,13-tetraen-6-amine.
Chemical Property Profile of N,N-diethyl-2,2-dioxo-4,5,6,7-tetrahydro-3H-benzo[1,2]cycloh
Property Insights of N,N-diethyl-2,2-dioxo-4,5,6,7-tetrahydro-3H-benzo[1,2]cycloh
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-diethyl-2,2-dioxo-4,5,6,7-tetrahydro-3H-benzo[1,2]cycloh. With a topological polar surface area (TPSA) of 55.0 Ų, N,N-diethyl-2,2-dioxo-4,5,6,7-tetrahydro-3H-benzo[1,2]cycloh exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-diethyl-2,2-dioxo-4,5,6,7-tetrahydro-3H-benzo[1,2]cycloh 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 N,N-diethyl-2,2-dioxo-4,5,6,7-tetrahydro-3H-benzo[1,2]cycloh?
The CAS number of N,N-diethyl-2,2-dioxo-4,5,6,7-tetrahydro-3H-benzo[1,2]cycloh is 65800-29-5.
What is the molecular formula of N,N-diethyl-2,2-dioxo-4,5,6,7-tetrahydro-3H-benzo[1,2]cycloh?
The molecular formula of N,N-diethyl-2,2-dioxo-4,5,6,7-tetrahydro-3H-benzo[1,2]cycloh is C17H23NO3S.
What is the molecular weight of N,N-diethyl-2,2-dioxo-4,5,6,7-tetrahydro-3H-benzo[1,2]cycloh?
The molecular weight of N,N-diethyl-2,2-dioxo-4,5,6,7-tetrahydro-3H-benzo[1,2]cycloh is 321.14 g/mol.
Where can I buy N,N-diethyl-2,2-dioxo-4,5,6,7-tetrahydro-3H-benzo[1,2]cycloh?
You can request a quote for N,N-diethyl-2,2-dioxo-4,5,6,7-tetrahydro-3H-benzo[1,2]cycloh directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-diethyl-2,2-dioxo-4,5,6,7-tetrahydro-3H-benzo[1,2]cycloh?
Yes, KEHONG BIO provides custom synthesis services for N,N-diethyl-2,2-dioxo-4,5,6,7-tetrahydro-3H-benzo[1,2]cycloh and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.