Bis(2,4-dichloro-6-nitrophenyl) hexanedioate
TL;DR: Bis(2,4-dichloro-6-nitrophenyl) hexanedioate (CAS 37511-86-7) is a chemical compound with molecular formula C18H12Cl4N2O8 and molecular weight 523.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2,4-dichloro-6-nitrophenyl) hexanedioate
Also Known As: bis(2,4-dichloro-6-nitrophenyl) hexanedioate
| Molecular Formula | C18H12Cl4N2O8 |
|---|---|
| Molecular Weight | 523.93 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 523.93475 |
| Heavy Atoms | 32 |
| Complexity | 645.0 |
Chemical Identifiers
| CAS Number | 37511-86-7 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])OC(=O)CCCCC(=O)OC2=C(C=C(C=C2Cl)Cl)[N+](=O)[O-])Cl)Cl |
| InChIKey | LXSFLJYZYPGXDJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(2,4-dichloro-6-nitrophenyl) hexanedioate (CAS 37511-86-7), with molecular formula C18H12Cl4N2O8 and molecular weight 523.93 g/mol. IUPAC: bis(2,4-dichloro-6-nitrophenyl) hexanedioate.
Chemical Property Profile of Bis(2,4-dichloro-6-nitrophenyl) hexanedioate
Property Insights of Bis(2,4-dichloro-6-nitrophenyl) hexanedioate
The XLogP value of 5.9 indicates that Bis(2,4-dichloro-6-nitrophenyl) hexanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting Bis(2,4-dichloro-6-nitrophenyl) hexanedioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis(2,4-dichloro-6-nitrophenyl) hexanedioate 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 Bis(2,4-dichloro-6-nitrophenyl) hexanedioate?
The CAS number of Bis(2,4-dichloro-6-nitrophenyl) hexanedioate is 37511-86-7.
What is the molecular formula of Bis(2,4-dichloro-6-nitrophenyl) hexanedioate?
The molecular formula of Bis(2,4-dichloro-6-nitrophenyl) hexanedioate is C18H12Cl4N2O8.
What is the molecular weight of Bis(2,4-dichloro-6-nitrophenyl) hexanedioate?
The molecular weight of Bis(2,4-dichloro-6-nitrophenyl) hexanedioate is 523.93 g/mol.
Where can I buy Bis(2,4-dichloro-6-nitrophenyl) hexanedioate?
You can request a quote for Bis(2,4-dichloro-6-nitrophenyl) hexanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(2,4-dichloro-6-nitrophenyl) hexanedioate?
Yes, KEHONG BIO provides custom synthesis services for Bis(2,4-dichloro-6-nitrophenyl) hexanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.