RefChem:71631
TL;DR: RefChem:71631 (CAS 68391-27-5) is a chemical compound with molecular formula C31H31Cl8N3O9 and molecular weight 868.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(3,4,5,6-tetrachlorophthalic acid);2,4,6-tris[(dimethylamino)methyl]phenol
Also Known As: Tetrachlorophthalic acid, 2,4,6-tri(dimethylaminomethyl)phenol salt, 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylic acid- 2,4,6-tris[(dimethylamino)methyl]phenol(2:1), Bis(tetrabromophthalic acid)-2,4,6-tris((dimethylamino)methyl)phenol salt, 1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrachloro-, compd. with 2,4,6-tris((dimethylamino)methyl)phenol (2:1), 1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrachloro-, compd. with 2,4,6-tris[(dimethylamino)methyl]phenol (2:1)
| Molecular Formula | C31H31Cl8N3O9 |
|---|---|
| Molecular Weight | 868.96 g/mol |
| LogP | 8.97 |
| Topological Polar Surface Area | 179.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 872.9509 |
| Heavy Atoms | 51 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 68391-27-5 |
|---|---|
| SMILES | CN(C)CC1=CC(=C(C(=C1)CN(C)C)O)CN(C)C.C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)O)C(=O)O.C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)O)C(=O)O |
| InChIKey | FCHBRMOFWBORBZ-UHFFFAOYSA-N |
Product Overview
RefChem:71631 (CAS 68391-27-5), with molecular formula C31H31Cl8N3O9 and molecular weight 868.96 g/mol. IUPAC: bis(3,4,5,6-tetrachlorophthalic acid);2,4,6-tris[(dimethylamino)methyl]phenol.
Chemical Property Profile of RefChem:71631
Property Insights of RefChem:71631
The XLogP value of 8.97 indicates that RefChem:71631 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 179.0 Ų indicates high polarity, suggesting RefChem:71631 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:71631 has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:71631?
The CAS number of RefChem:71631 is 68391-27-5.
What is the molecular formula of RefChem:71631?
The molecular formula of RefChem:71631 is C31H31Cl8N3O9.
What is the molecular weight of RefChem:71631?
The molecular weight of RefChem:71631 is 868.96 g/mol.
Where can I buy RefChem:71631?
You can request a quote for RefChem:71631 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:71631?
Yes, KEHONG BIO provides custom synthesis services for RefChem:71631 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.