EINECS 279-547-4
TL;DR: EINECS 279-547-4 (CAS 80789-64-6) is a chemical compound with molecular formula C20H4Cl16 and molecular weight 803.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,5,6,7,10,11,12,13,16,17,18,19,19,20,20-hexadecachlorohexacyclo[14.2.1.14,7.02,15.03,8.09,14]icosa-5,9(14),10,12,17-pentaene
Also Known As: EINECS 279-547-4, 1,2,3,4,5,6,7,8,9,10,11,12,13,13,14,14-Hexadecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-1,4:5,8-dimethanotriphenylene, 1,4,5,6,7,10,11,12,13,16,17,18,19,19,20,20-hexadecachlorohexacyclo[14.2.1.14,7.02,15.03,8.09,14]icosa-5,9,11,13,17-pentaene, 279-547-4, RefChem:71239
| Molecular Formula | C20H4Cl16 |
|---|---|
| Molecular Weight | 803.53 g/mol |
| LogP | 12.4044 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 803.53296 |
| Heavy Atoms | 36 |
| Complexity | 1275.16 |
Chemical Identifiers
| CAS Number | 80789-64-6 |
|---|---|
| SMILES | C12C3C(C4=C(C1C5(C(=C(C2(C5(Cl)Cl)Cl)Cl)Cl)Cl)C(=C(C(=C4Cl)Cl)Cl)Cl)C6(C(=C(C3(C6(Cl)Cl)Cl)Cl)Cl)Cl |
Product Overview
EINECS 279-547-4 (CAS 80789-64-6), with molecular formula C20H4Cl16 and molecular weight 803.53 g/mol. IUPAC: 1,4,5,6,7,10,11,12,13,16,17,18,19,19,20,20-hexadecachlorohexacyclo[14.2.1.14,7.02,15.03,8.09,14]icosa-5,9(14),10,12,17-pentaene.
Chemical Property Profile of EINECS 279-547-4
Property Insights of EINECS 279-547-4
The XLogP value of 12.4044 indicates that EINECS 279-547-4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, EINECS 279-547-4 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, EINECS 279-547-4 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 EINECS 279-547-4?
The CAS number of EINECS 279-547-4 is 80789-64-6.
What is the molecular formula of EINECS 279-547-4?
The molecular formula of EINECS 279-547-4 is C20H4Cl16.
What is the molecular weight of EINECS 279-547-4?
The molecular weight of EINECS 279-547-4 is 803.53 g/mol.
Where can I buy EINECS 279-547-4?
You can request a quote for EINECS 279-547-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 279-547-4?
Yes, KEHONG BIO provides custom synthesis services for EINECS 279-547-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.