Di(2-chloro-3-pyridyl) 5-(tert-butyl)isophthalate
TL;DR: Di(2-chloro-3-pyridyl) 5-(tert-butyl)isophthalate (CAS 245072-89-3) is a chemical compound with molecular formula C22H18Cl2N2O4 and molecular weight 444.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-chloro-3-pyridinyl) 5-tert-butylbenzene-1,3-dicarboxylate
Also Known As: di(2-chloro-3-pyridyl) 5-(tert-butyl)isophthalate, bis(2-chloropyridin-3-yl) 5-tert-butylbenzene-1,3-dicarboxylate, 1,3-bis(2-chloropyridin-3-yl) 5-tert-butylbenzene-1,3-dicarboxylate
| Molecular Formula | C22H18Cl2N2O4 |
|---|---|
| Molecular Weight | 444.06 g/mol |
| LogP | 5.5193 |
| Topological Polar Surface Area | 78.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.06436 |
| Heavy Atoms | 30 |
| Complexity | 1032.5369 |
Chemical Identifiers
| CAS Number | 245072-89-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1)C(=O)OC2=C(N=CC=C2)Cl)C(=O)OC3=C(N=CC=C3)Cl |
Product Overview
Di(2-chloro-3-pyridyl) 5-(tert-butyl)isophthalate (CAS 245072-89-3), with molecular formula C22H18Cl2N2O4 and molecular weight 444.06 g/mol. IUPAC: bis(2-chloro-3-pyridinyl) 5-tert-butylbenzene-1,3-dicarboxylate.
Chemical Property Profile of Di(2-chloro-3-pyridyl) 5-(tert-butyl)isophthalate
Property Insights of Di(2-chloro-3-pyridyl) 5-(tert-butyl)isophthalate
The XLogP value of 5.5193 indicates that Di(2-chloro-3-pyridyl) 5-(tert-butyl)isophthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.38 Ų falls within the moderate polarity range, balancing permeability and solubility for Di(2-chloro-3-pyridyl) 5-(tert-butyl)isophthalate. Following Lipinski's Rule of Five, Di(2-chloro-3-pyridyl) 5-(tert-butyl)isophthalate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Di(2-chloro-3-pyridyl) 5-(tert-butyl)isophthalate?
The CAS number of Di(2-chloro-3-pyridyl) 5-(tert-butyl)isophthalate is 245072-89-3.
What is the molecular formula of Di(2-chloro-3-pyridyl) 5-(tert-butyl)isophthalate?
The molecular formula of Di(2-chloro-3-pyridyl) 5-(tert-butyl)isophthalate is C22H18Cl2N2O4.
What is the molecular weight of Di(2-chloro-3-pyridyl) 5-(tert-butyl)isophthalate?
The molecular weight of Di(2-chloro-3-pyridyl) 5-(tert-butyl)isophthalate is 444.06 g/mol.
Where can I buy Di(2-chloro-3-pyridyl) 5-(tert-butyl)isophthalate?
You can request a quote for Di(2-chloro-3-pyridyl) 5-(tert-butyl)isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Di(2-chloro-3-pyridyl) 5-(tert-butyl)isophthalate?
Yes, KEHONG BIO provides custom synthesis services for Di(2-chloro-3-pyridyl) 5-(tert-butyl)isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.