2,7-dibromo-9H-xanthen-9-one
TL;DR: 2,7-dibromo-9H-xanthen-9-one (CAS 40102-85-0) is a chemical compound with molecular formula C13H6Br2O2 and molecular weight 351.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,7-dibromoxanthen-9-one
Also Known As: 2,7-dibromo-9H-xanthen-9-one, 2,7-Dibromoxanthone, 2,7-dibromoxanthen-9-one, 2,7-dibromo-9-xanthenone, 9H-Xanthen-9-one, 2,7-dibromo-
| Molecular Formula | C13H6Br2O2 |
|---|---|
| Molecular Weight | 351.87 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 351.87344 |
| Heavy Atoms | 17 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 40102-85-0 |
|---|---|
| SMILES | C1=CC2=C(C=C1Br)C(=O)C3=C(O2)C=CC(=C3)Br |
| InChIKey | AOOPYZBRENDMPN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,7-dibromo-9H-xanthen-9-one (CAS 40102-85-0), with molecular formula C13H6Br2O2 and molecular weight 351.87 g/mol. IUPAC: 2,7-dibromoxanthen-9-one.
Chemical Property Profile of 2,7-dibromo-9H-xanthen-9-one
Property Insights of 2,7-dibromo-9H-xanthen-9-one
The XLogP value of 5.0 indicates that 2,7-dibromo-9H-xanthen-9-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2,7-dibromo-9H-xanthen-9-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,7-dibromo-9H-xanthen-9-one has 0 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 2,7-dibromo-9H-xanthen-9-one?
The CAS number of 2,7-dibromo-9H-xanthen-9-one is 40102-85-0.
What is the molecular formula of 2,7-dibromo-9H-xanthen-9-one?
The molecular formula of 2,7-dibromo-9H-xanthen-9-one is C13H6Br2O2.
What is the molecular weight of 2,7-dibromo-9H-xanthen-9-one?
The molecular weight of 2,7-dibromo-9H-xanthen-9-one is 351.87 g/mol.
Where can I buy 2,7-dibromo-9H-xanthen-9-one?
You can request a quote for 2,7-dibromo-9H-xanthen-9-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,7-dibromo-9H-xanthen-9-one?
Yes, KEHONG BIO provides custom synthesis services for 2,7-dibromo-9H-xanthen-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.