1,5-Benzodiazocin-2(1H)-one, 8-bromo-1-butyl-3,4-dihydro-6-phenyl-
TL;DR: 1,5-Benzodiazocin-2(1H)-one, 8-bromo-1-butyl-3,4-dihydro-6-phenyl- (CAS 63594-50-3) is a chemical compound with molecular formula C20H21BrN2O and molecular weight 384.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-1-butyl-6-phenyl-3,4-dihydro-1,5-benzodiazocin-2-one
Also Known As: 1,5-Benzodiazocin-2(1H)-one, 8-bromo-1-butyl-3,4-dihydro-6-phenyl-, 8-bromo-1-butyl-6-phenyl-3,4-dihydro-1,5-benzodiazocin-2-one, 8-Bromo-1-butyl-1,2,3,4-tetrahydro-6-phenyl-1,5-benzodiazocin-2-one, 8-Bromo-1-butyl-6-phenyl-3,4-dihydro-1,5-benzodiazocin-2(1H)-one, (5Z)-8-Bromo-1-butyl-6-phenyl-3,4-dihydro-1,5-benzodiazocin-2(1H)-one
| Molecular Formula | C20H21BrN2O |
|---|---|
| Molecular Weight | 384.08 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.08374 |
| Heavy Atoms | 24 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 63594-50-3 |
|---|---|
| SMILES | CCCCN1C(=O)CCN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=C3 |
| InChIKey | UTTGRPXWQRJCJG-UHFFFAOYSA-N |
Product Overview
1,5-Benzodiazocin-2(1H)-one, 8-bromo-1-butyl-3,4-dihydro-6-phenyl- (CAS 63594-50-3), with molecular formula C20H21BrN2O and molecular weight 384.08 g/mol. IUPAC: 8-bromo-1-butyl-6-phenyl-3,4-dihydro-1,5-benzodiazocin-2-one.
Chemical Property Profile of 1,5-Benzodiazocin-2(1H)-one, 8-bromo-1-butyl-3,4-dihydro-6-phenyl-
Property Insights of 1,5-Benzodiazocin-2(1H)-one, 8-bromo-1-butyl-3,4-dihydro-6-phenyl-
The XLogP value of 3.9 indicates that 1,5-Benzodiazocin-2(1H)-one, 8-bromo-1-butyl-3,4-dihydro-6-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, 1,5-Benzodiazocin-2(1H)-one, 8-bromo-1-butyl-3,4-dihydro-6-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-Benzodiazocin-2(1H)-one, 8-bromo-1-butyl-3,4-dihydro-6-phenyl- has 0 hydrogen bond donor(s) and 2 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 1,5-Benzodiazocin-2(1H)-one, 8-bromo-1-butyl-3,4-dihydro-6-phenyl-?
The CAS number of 1,5-Benzodiazocin-2(1H)-one, 8-bromo-1-butyl-3,4-dihydro-6-phenyl- is 63594-50-3.
What is the molecular formula of 1,5-Benzodiazocin-2(1H)-one, 8-bromo-1-butyl-3,4-dihydro-6-phenyl-?
The molecular formula of 1,5-Benzodiazocin-2(1H)-one, 8-bromo-1-butyl-3,4-dihydro-6-phenyl- is C20H21BrN2O.
What is the molecular weight of 1,5-Benzodiazocin-2(1H)-one, 8-bromo-1-butyl-3,4-dihydro-6-phenyl-?
The molecular weight of 1,5-Benzodiazocin-2(1H)-one, 8-bromo-1-butyl-3,4-dihydro-6-phenyl- is 384.08 g/mol.
Where can I buy 1,5-Benzodiazocin-2(1H)-one, 8-bromo-1-butyl-3,4-dihydro-6-phenyl-?
You can request a quote for 1,5-Benzodiazocin-2(1H)-one, 8-bromo-1-butyl-3,4-dihydro-6-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Benzodiazocin-2(1H)-one, 8-bromo-1-butyl-3,4-dihydro-6-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Benzodiazocin-2(1H)-one, 8-bromo-1-butyl-3,4-dihydro-6-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.