EINECS 281-165-8
TL;DR: EINECS 281-165-8 (CAS 83877-99-0) is a chemical compound with molecular formula C42H12Cl24MgN2O8 and molecular weight 1535.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
magnesium bis(1,4,5,6,7,16,17,18,19,19,20,20-dodecachloro-12-nitrohexacyclo[14.2.1.14,7.02,15.03,8.09,14]icosa-5,9,11,13,17-pentaene-11-carboxylate)
Also Known As: EINECS 281-165-8, C21H7Cl12NO4.1/2Mg, C21-H7-Cl12-N-O4.1/2Mg, Magnesium bis(1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-11-nitro-1,4:5,8-dimethanotriphenylene-10-carboxylate), 3-NITRO-2-NAPHTHOICACID,MAGNESIUMSALT-BIS ADDUCT,TECH.
| Molecular Formula | C42H12Cl24MgN2O8 |
|---|---|
| Molecular Weight | 1535.30 g/mol |
| LogP | 15.7442 |
| Topological Polar Surface Area | 166.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 1535.2969 |
| Heavy Atoms | 77 |
| Complexity | 2993.8425 |
Chemical Identifiers
| CAS Number | 83877-99-0 |
|---|---|
| SMILES | C1=C2C3C(C4C(C2=CC(=C1C(=O)[O-])[N+](=O)[O-])C5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C6(C(=C(C3(C6(Cl)Cl)Cl)Cl)Cl)Cl.C1=C2C3C(C4C(C2=CC(=C1C(=O)[O-])[N+](=O)[O-])C5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C6(C(=C(C3(C6(Cl)Cl)Cl)Cl)Cl)Cl.[Mg+2] |
Product Overview
EINECS 281-165-8 (CAS 83877-99-0), with molecular formula C42H12Cl24MgN2O8 and molecular weight 1535.30 g/mol. IUPAC: magnesium bis(1,4,5,6,7,16,17,18,19,19,20,20-dodecachloro-12-nitrohexacyclo[14.2.1.14,7.02,15.03,8.09,14]icosa-5,9,11,13,17-pentaene-11-carboxylate).
Chemical Property Profile of EINECS 281-165-8
Property Insights of EINECS 281-165-8
The XLogP value of 15.7442 indicates that EINECS 281-165-8 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 166.54 Ų indicates high polarity, suggesting EINECS 281-165-8 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 281-165-8 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 281-165-8?
The CAS number of EINECS 281-165-8 is 83877-99-0.
What is the molecular formula of EINECS 281-165-8?
The molecular formula of EINECS 281-165-8 is C42H12Cl24MgN2O8.
What is the molecular weight of EINECS 281-165-8?
The molecular weight of EINECS 281-165-8 is 1535.30 g/mol.
Where can I buy EINECS 281-165-8?
You can request a quote for EINECS 281-165-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 281-165-8?
Yes, KEHONG BIO provides custom synthesis services for EINECS 281-165-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.