RefChem:71638
TL;DR: RefChem:71638 (CAS 71550-47-5) is a chemical compound with molecular formula C23H18F6O8 and molecular weight 536.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(3-carboxy-4-ethoxycarbonylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-ethoxycarbonylbenzoic acid
Also Known As: J1.386.067J, Phthalic acid, 4,4'-(bis(trifluoromethyl)methylene)di-, diethyl ester, Diethyl 4,4'-(2,2,2-trifluoro-1-(trifluoromethyl)ethylidene)diphthalate, 1,2-Benzenedicarboxylic acid, 4,4'-(2,2,2-trifluoro-1-(trifluoromethyl)ethylidene)bis-, diethyl ester, 1,2-Benzenedicarboxylic acid, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis-, diethyl ester
| Molecular Formula | C23H18F6O8 |
|---|---|
| Molecular Weight | 536.09 g/mol |
| LogP | 4.8471 |
| Topological Polar Surface Area | 127.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 536.0906 |
| Heavy Atoms | 37 |
| Complexity | 1137.2178 |
Chemical Identifiers
| CAS Number | 71550-47-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=C(C=C1)C(C2=CC(=C(C=C2)C(=O)OCC)C(=O)O)(C(F)(F)F)C(F)(F)F)C(=O)O |
Product Overview
RefChem:71638 (CAS 71550-47-5), with molecular formula C23H18F6O8 and molecular weight 536.09 g/mol. IUPAC: 5-[2-(3-carboxy-4-ethoxycarbonylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-ethoxycarbonylbenzoic acid.
Chemical Property Profile of RefChem:71638
Property Insights of RefChem:71638
The XLogP value of 4.8471 indicates that RefChem:71638 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:71638. Following Lipinski's Rule of Five, RefChem:71638 has 2 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 RefChem:71638?
The CAS number of RefChem:71638 is 71550-47-5.
What is the molecular formula of RefChem:71638?
The molecular formula of RefChem:71638 is C23H18F6O8.
What is the molecular weight of RefChem:71638?
The molecular weight of RefChem:71638 is 536.09 g/mol.
Where can I buy RefChem:71638?
You can request a quote for RefChem:71638 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:71638?
Yes, KEHONG BIO provides custom synthesis services for RefChem:71638 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.