RefChem:411138
TL;DR: RefChem:411138 (CAS 53464-95-2) is a chemical compound with molecular formula C31H24O10 and molecular weight 556.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[2-[4-(2,3-dicarboxyphenoxy)phenyl]propan-2-yl]phenoxy]phthalic acid
Also Known As: 2,2-Bis(4-(2,3-dicarboxyphenoxy)phenyl)propane, 3,3'-(Isopropylidenebis(4,1-phenyleneoxy))bisphthalate, 3,3'-[Isopropylidenebis(4,1-phenyleneoxy)]bisphthalate, 1,2-Benzenedicarboxylic acid, 3,3'-((1-methylethylidene)bis(4,1-phenyleneoxy))bis-, 1,2-Benzenedicarboxylic acid, 3,3'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis-
| Molecular Formula | C31H24O10 |
|---|---|
| Molecular Weight | 556.14 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 168.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 556.13696 |
| Heavy Atoms | 41 |
| Complexity | 873.0 |
Chemical Identifiers
| CAS Number | 53464-95-2 |
|---|---|
| SMILES | CC(C)(C1=CC=C(C=C1)OC2=CC=CC(=C2C(=O)O)C(=O)O)C3=CC=C(C=C3)OC4=CC=CC(=C4C(=O)O)C(=O)O |
| InChIKey | XZWYIEAOALEANP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:411138 (CAS 53464-95-2), with molecular formula C31H24O10 and molecular weight 556.14 g/mol. IUPAC: 3-[4-[2-[4-(2,3-dicarboxyphenoxy)phenyl]propan-2-yl]phenoxy]phthalic acid.
Chemical Property Profile of RefChem:411138
Property Insights of RefChem:411138
The XLogP value of 5.9 indicates that RefChem:411138 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 168.0 Ų indicates high polarity, suggesting RefChem:411138 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:411138 has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:411138?
The CAS number of RefChem:411138 is 53464-95-2.
What is the molecular formula of RefChem:411138?
The molecular formula of RefChem:411138 is C31H24O10.
What is the molecular weight of RefChem:411138?
The molecular weight of RefChem:411138 is 556.14 g/mol.
Where can I buy RefChem:411138?
You can request a quote for RefChem:411138 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:411138?
Yes, KEHONG BIO provides custom synthesis services for RefChem:411138 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.