1,5-Benzodiazocin-6(1H)-one, 2,3,4,5-tetrahydro-
TL;DR: 1,5-Benzodiazocin-6(1H)-one, 2,3,4,5-tetrahydro- (CAS 51111-02-5) is a chemical compound with molecular formula C10H12N2O and molecular weight 176.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5-tetrahydro-1H-1,5-benzodiazocin-6-one
Also Known As: 2,3,4,5-Tetrahydro-1,5-benzodiazocin-6 -one, 1,2,3,4-Tetrahydro-1,5-benzodiazocin-6-ol, 1,2,3,4-Tetrahydro-1,5-benzodiazocin-6-ol #, 1,5-Benzodiazocin-6(1H)-one, 2,3,4,5-tetrahydro-, 2,3,4,5-tetrahydro-1H-1,5-benzodiazocin-6-one
| Molecular Formula | C10H12N2O |
|---|---|
| Molecular Weight | 176.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.09496 |
| Heavy Atoms | 13 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 51111-02-5 |
|---|---|
| SMILES | C1CNC2=CC=CC=C2C(=O)NC1 |
| InChIKey | OGZJPSVWGZVMJN-UHFFFAOYSA-N |
Product Overview
1,5-Benzodiazocin-6(1H)-one, 2,3,4,5-tetrahydro- (CAS 51111-02-5), with molecular formula C10H12N2O and molecular weight 176.09 g/mol. IUPAC: 2,3,4,5-tetrahydro-1H-1,5-benzodiazocin-6-one.
Chemical Property Profile of 1,5-Benzodiazocin-6(1H)-one, 2,3,4,5-tetrahydro-
Property Insights of 1,5-Benzodiazocin-6(1H)-one, 2,3,4,5-tetrahydro-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Benzodiazocin-6(1H)-one, 2,3,4,5-tetrahydro-. With a topological polar surface area (TPSA) of 41.1 Ų, 1,5-Benzodiazocin-6(1H)-one, 2,3,4,5-tetrahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-Benzodiazocin-6(1H)-one, 2,3,4,5-tetrahydro- has 2 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-6(1H)-one, 2,3,4,5-tetrahydro-?
The CAS number of 1,5-Benzodiazocin-6(1H)-one, 2,3,4,5-tetrahydro- is 51111-02-5.
What is the molecular formula of 1,5-Benzodiazocin-6(1H)-one, 2,3,4,5-tetrahydro-?
The molecular formula of 1,5-Benzodiazocin-6(1H)-one, 2,3,4,5-tetrahydro- is C10H12N2O.
What is the molecular weight of 1,5-Benzodiazocin-6(1H)-one, 2,3,4,5-tetrahydro-?
The molecular weight of 1,5-Benzodiazocin-6(1H)-one, 2,3,4,5-tetrahydro- is 176.09 g/mol.
Where can I buy 1,5-Benzodiazocin-6(1H)-one, 2,3,4,5-tetrahydro-?
You can request a quote for 1,5-Benzodiazocin-6(1H)-one, 2,3,4,5-tetrahydro- 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-6(1H)-one, 2,3,4,5-tetrahydro-?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Benzodiazocin-6(1H)-one, 2,3,4,5-tetrahydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.