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Benzo[k]fluoranthene-8,11-dione
TL;DR: Benzo[k]fluoranthene-8,11-dione (CAS 6051-91-8) is a chemical compound with molecular formula C27H39N3O7 and molecular weight 517.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[3-tert-butyl-6-[2-(1-hydroxypropan-2-ylamino)-2-oxoethyl]-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]carbamate
Also Known As: Benzo[k]fluoranthene-8,11-dione, AML1_002321, benzyl N-[3-tert-butyl-6-[2-(1-hydroxypropan-2-ylamino)-2-oxoethyl]-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]carbamate, Benzyl (3-tert-butyl-6-{2-[(1-hydroxypropan-2-yl)amino]-2-oxoethyl}-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl)carbamate
| Molecular Formula | C27H39N3O7 |
|---|---|
| Molecular Weight | 517.28 g/mol |
| LogP | 2.2088 |
| Topological Polar Surface Area | 143.06 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 517.2788 |
| Heavy Atoms | 37 |
| Complexity | 943.0682 |
Chemical Identifiers
| CAS Number | 6051-91-8 |
|---|---|
| SMILES | CC(CO)NC(=O)CC1CC=CCC(C(=O)OCC(NC1=O)C(C)(C)C)NC(=O)OCC2=CC=CC=C2 |
Product Overview
Benzo[k]fluoranthene-8,11-dione (CAS 6051-91-8), with molecular formula C27H39N3O7 and molecular weight 517.28 g/mol. IUPAC: benzyl N-[3-tert-butyl-6-[2-(1-hydroxypropan-2-ylamino)-2-oxoethyl]-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]carbamate.
Chemical Property Profile of Benzo[k]fluoranthene-8,11-dione
Property Insights of Benzo[k]fluoranthene-8,11-dione
The XLogP value of 2.2088 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo[k]fluoranthene-8,11-dione. The TPSA of 143.06 Ų indicates high polarity, suggesting Benzo[k]fluoranthene-8,11-dione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzo[k]fluoranthene-8,11-dione has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzo[k]fluoranthene-8,11-dione?
The CAS number of Benzo[k]fluoranthene-8,11-dione is 6051-91-8.
What is the molecular formula of Benzo[k]fluoranthene-8,11-dione?
The molecular formula of Benzo[k]fluoranthene-8,11-dione is C27H39N3O7.
What is the molecular weight of Benzo[k]fluoranthene-8,11-dione?
The molecular weight of Benzo[k]fluoranthene-8,11-dione is 517.28 g/mol.
Where can I buy Benzo[k]fluoranthene-8,11-dione?
You can request a quote for Benzo[k]fluoranthene-8,11-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[k]fluoranthene-8,11-dione?
Yes, KEHONG BIO provides custom synthesis services for Benzo[k]fluoranthene-8,11-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.