8,16-Pyranthrenedione, tribromo-
TL;DR: 8,16-Pyranthrenedione, tribromo- (CAS 71838-93-2) is a chemical compound with molecular formula C30H11Br3O2 and molecular weight 639.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3-tribromopyranthrene-8,16-dione
Also Known As: 8,16-Pyranthrenedione, tribromo-, Vat Orange 4, C.I.Vat Orange 4, C.I. Vat Orange 4, 1,2,3-tribromopyranthrene-8,16-dione
| Molecular Formula | C30H11Br3O2 |
|---|---|
| Molecular Weight | 639.83 g/mol |
| LogP | 9.4 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 639.83093 |
| Heavy Atoms | 35 |
| Complexity | 937.0 |
Chemical Identifiers
| CAS Number | 71838-93-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=CC4=C5C6=C(C=CC(=C36)C2=O)C=C7C5=C(C=C4)C(=O)C8=C(C(=C(C=C78)Br)Br)Br |
| InChIKey | UONIWDRQOAPMNV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8,16-Pyranthrenedione, tribromo- (CAS 71838-93-2), with molecular formula C30H11Br3O2 and molecular weight 639.83 g/mol. IUPAC: 1,2,3-tribromopyranthrene-8,16-dione.
Chemical Property Profile of 8,16-Pyranthrenedione, tribromo-
Property Insights of 8,16-Pyranthrenedione, tribromo-
The XLogP value of 9.4 indicates that 8,16-Pyranthrenedione, tribromo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 8,16-Pyranthrenedione, tribromo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8,16-Pyranthrenedione, tribromo- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8,16-Pyranthrenedione, tribromo-?
The CAS number of 8,16-Pyranthrenedione, tribromo- is 71838-93-2.
What is the molecular formula of 8,16-Pyranthrenedione, tribromo-?
The molecular formula of 8,16-Pyranthrenedione, tribromo- is C30H11Br3O2.
What is the molecular weight of 8,16-Pyranthrenedione, tribromo-?
The molecular weight of 8,16-Pyranthrenedione, tribromo- is 639.83 g/mol.
Where can I buy 8,16-Pyranthrenedione, tribromo-?
You can request a quote for 8,16-Pyranthrenedione, tribromo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8,16-Pyranthrenedione, tribromo-?
Yes, KEHONG BIO provides custom synthesis services for 8,16-Pyranthrenedione, tribromo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.