trans-10,11-Dibromodibenzosuberone
TL;DR: trans-10,11-Dibromodibenzosuberone (CAS 57295-97-3) is a chemical compound with molecular formula C15H10Br2O and molecular weight 363.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,10-dibromotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one
Also Known As: Cyclobenzaprine Impurity 2, 10,11-Dibromo 5-Dibenzosuberenone, trans-10,11-Dibromodibenzosuberone, 10,11-Dibromo-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-one, 10,11-Dibromo-10,11-dihydrodibenzo[a,d]cycloheptene-5-one
| Molecular Formula | C15H10Br2O |
|---|---|
| Molecular Weight | 363.91 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 363.90985 |
| Heavy Atoms | 18 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 57295-97-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(C(C3=CC=CC=C3C2=O)Br)Br |
| InChIKey | UXTYUOCJQGRAIG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
trans-10,11-Dibromodibenzosuberone (CAS 57295-97-3), with molecular formula C15H10Br2O and molecular weight 363.91 g/mol. IUPAC: 9,10-dibromotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one.
Chemical Property Profile of trans-10,11-Dibromodibenzosuberone
Property Insights of trans-10,11-Dibromodibenzosuberone
The XLogP value of 4.3 indicates that trans-10,11-Dibromodibenzosuberone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, trans-10,11-Dibromodibenzosuberone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-10,11-Dibromodibenzosuberone 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 trans-10,11-Dibromodibenzosuberone?
The CAS number of trans-10,11-Dibromodibenzosuberone is 57295-97-3.
What is the molecular formula of trans-10,11-Dibromodibenzosuberone?
The molecular formula of trans-10,11-Dibromodibenzosuberone is C15H10Br2O.
What is the molecular weight of trans-10,11-Dibromodibenzosuberone?
The molecular weight of trans-10,11-Dibromodibenzosuberone is 363.91 g/mol.
Where can I buy trans-10,11-Dibromodibenzosuberone?
You can request a quote for trans-10,11-Dibromodibenzosuberone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-10,11-Dibromodibenzosuberone?
Yes, KEHONG BIO provides custom synthesis services for trans-10,11-Dibromodibenzosuberone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.