RefChem:77445
TL;DR: RefChem:77445 (CAS 80789-65-7) is a chemical compound with molecular formula C20H7BrCl12 and molecular weight 745.60 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-bromo-1,4,5,6,7,16,17,18,19,19,20,20-dodecachlorohexacyclo[14.2.1.14,7.02,15.03,8.09,14]icosa-5,9(14),10,12,17-pentaene
Also Known As: EINECS 279-549-5, 2-bromonaphthalene-bis(hexachlorocyclo-&, 10-Bromo-1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-1,4:5,8-dimethanotriphenylene, 2-BROMONAPHTHALENE-BIS(HEXACHLOROCYCLO-&, 11-Bromo-1,4,5,6,7,16,17,18,19,19,20,20-dodecachlorohexacyclo[14.2.1.14,7.02,15.03,8.09,14]icosa-5,9(14),10,12,17-pentaene
| Molecular Formula | C20H7BrCl12 |
|---|---|
| Molecular Weight | 745.60 g/mol |
| LogP | 10.5533 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 745.59937 |
| Heavy Atoms | 33 |
| Complexity | 1239.3993 |
Chemical Identifiers
| CAS Number | 80789-65-7 |
|---|---|
| SMILES | C1=CC2=C(C=C1Br)C3C(C4C2C5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C6(C(=C(C3(C6(Cl)Cl)Cl)Cl)Cl)Cl |
Product Overview
RefChem:77445 (CAS 80789-65-7), with molecular formula C20H7BrCl12 and molecular weight 745.60 g/mol. IUPAC: 11-bromo-1,4,5,6,7,16,17,18,19,19,20,20-dodecachlorohexacyclo[14.2.1.14,7.02,15.03,8.09,14]icosa-5,9(14),10,12,17-pentaene.
Chemical Property Profile of RefChem:77445
Property Insights of RefChem:77445
The XLogP value of 10.5533 indicates that RefChem:77445 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, RefChem:77445 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:77445 has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:77445?
The CAS number of RefChem:77445 is 80789-65-7.
What is the molecular formula of RefChem:77445?
The molecular formula of RefChem:77445 is C20H7BrCl12.
What is the molecular weight of RefChem:77445?
The molecular weight of RefChem:77445 is 745.60 g/mol.
Where can I buy RefChem:77445?
You can request a quote for RefChem:77445 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:77445?
Yes, KEHONG BIO provides custom synthesis services for RefChem:77445 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.