![[?]one structure](/static/products/5401/54012-87-2.webp)
[?]one
TL;DR: [?]one (CAS 54012-87-2) is a chemical compound with molecular formula C15H16N2O and molecular weight 240.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,8-diazatetracyclo[7.7.1.02,6.013,17]heptadeca-2(6),9,11,13(17)-tetraen-7-one
Also Known As: [?]one|2,3,10,11-Tetrahydro-1H,7H-cyclopenta(6,7)(1,4)diazepino(3,2,1-ij)quinolin-8(9H)-one|2,3,10,11-Tetrahydro-1H,7H-cyclopenta[6,7][1,4]diazepino[3,2,1-ij]quinolin-8(9H)-one|2,3,6,7-Tetrahydro-1H,5H-cyclopenta(b)pyrido(3,2,1-jk)(1,5)benzodiazepin-8(9H)-one|1,8-diazatetracyclo[7.7.1.02,6.013,17]heptadeca-2(6),9,11,13(17)-tetraen-7-one|1H,5H-Cyclopenta[b]pyrido[3,2,1-jk][1,5]benzodiazepin-8(9H)-one, 2,3,6,7-tetrahydro-|2,3,6,7-Tetrahydro-1H,5H-cyclopenta[b]pyrido[3,2,1-jk][1,5]benzodiazepin-8(9H)-one|UNII-7GD5V5E52Q|MLS003107182|SMR001822058
| Molecular Formula | C15H16N2O |
|---|---|
| Molecular Weight | 240.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 240.12627 |
| Heavy Atoms | 18 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 54012-87-2 |
|---|---|
| SMILES | C1CC2=C(C1)N3CCCC4=C3C(=CC=C4)NC2=O |
| InChIKey | QOJIWWLKLUGOGI-UHFFFAOYSA-N |
Product Overview
[?]one (CAS 54012-87-2), with molecular formula C15H16N2O and molecular weight 240.13 g/mol. IUPAC: 1,8-diazatetracyclo[7.7.1.02,6.013,17]heptadeca-2(6),9,11,13(17)-tetraen-7-one.
Chemical Property Profile of [?]one
Property Insights of [?]one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [?]one. With a topological polar surface area (TPSA) of 32.3 Ų, [?]one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [?]one has 1 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 [?]one?
The CAS number of [?]one is 54012-87-2.
What is the molecular formula of [?]one?
The molecular formula of [?]one is C15H16N2O.
What is the molecular weight of [?]one?
The molecular weight of [?]one is 240.13 g/mol.
Where can I buy [?]one?
You can request a quote for [?]one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [?]one?
Yes, KEHONG BIO provides custom synthesis services for [?]one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.