![6,8-dibromo-1-methylbenzo[cd]indol-2(1H)-one structure](/static/products/3915/39158-40-2.webp)
6,8-dibromo-1-methylbenzo[cd]indol-2(1H)-one
TL;DR: 6,8-dibromo-1-methylbenzo[cd]indol-2(1H)-one (CAS 39158-40-2) is a chemical compound with molecular formula C12H7Br2NO and molecular weight 338.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-dibromo-1-methylbenzo[cd]indol-2-one
Also Known As: 6,8-dibromo-1-methylbenzo[cd]indol-2(1H)-one, 6,8-dibromo-1-methylbenzo[cd]indol-2-one, F0120-0003, 9,11-dibromo-2-methyl-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4,6,8(12),9-pentaen-3-one
| Molecular Formula | C12H7Br2NO |
|---|---|
| Molecular Weight | 338.89 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 338.88943 |
| Heavy Atoms | 16 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 39158-40-2 |
|---|---|
| SMILES | CN1C2=C(C=C(C3=C2C(=CC=C3)C1=O)Br)Br |
| InChIKey | HMXKIPHXCJUPKN-UHFFFAOYSA-N |
Product Overview
6,8-dibromo-1-methylbenzo[cd]indol-2(1H)-one (CAS 39158-40-2), with molecular formula C12H7Br2NO and molecular weight 338.89 g/mol. IUPAC: 6,8-dibromo-1-methylbenzo[cd]indol-2-one.
Chemical Property Profile of 6,8-dibromo-1-methylbenzo[cd]indol-2(1H)-one
Property Insights of 6,8-dibromo-1-methylbenzo[cd]indol-2(1H)-one
The XLogP value of 3.7 indicates that 6,8-dibromo-1-methylbenzo[cd]indol-2(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 6,8-dibromo-1-methylbenzo[cd]indol-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,8-dibromo-1-methylbenzo[cd]indol-2(1H)-one has 0 hydrogen bond donor(s) and 1 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 6,8-dibromo-1-methylbenzo[cd]indol-2(1H)-one?
The CAS number of 6,8-dibromo-1-methylbenzo[cd]indol-2(1H)-one is 39158-40-2.
What is the molecular formula of 6,8-dibromo-1-methylbenzo[cd]indol-2(1H)-one?
The molecular formula of 6,8-dibromo-1-methylbenzo[cd]indol-2(1H)-one is C12H7Br2NO.
What is the molecular weight of 6,8-dibromo-1-methylbenzo[cd]indol-2(1H)-one?
The molecular weight of 6,8-dibromo-1-methylbenzo[cd]indol-2(1H)-one is 338.89 g/mol.
Where can I buy 6,8-dibromo-1-methylbenzo[cd]indol-2(1H)-one?
You can request a quote for 6,8-dibromo-1-methylbenzo[cd]indol-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,8-dibromo-1-methylbenzo[cd]indol-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6,8-dibromo-1-methylbenzo[cd]indol-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.