Butanedioic acid, bis[(3,4-dihydroxyphenyl)methylene]-
TL;DR: Butanedioic acid, bis[(3,4-dihydroxyphenyl)methylene]- (CAS 132367-95-4) is a chemical compound with molecular formula C18H14O8 and molecular weight 358.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-bis[(3,4-dihydroxyphenyl)methylidene]butanedioic acid
Also Known As: .beta.-.beta.-Dimer, Di-3,4-dihydroxybenzylidenesuccinic acid, Butanedioic acid, bis[(3,4-dihydroxyphenyl)methylene]-, 2,3-Bis(3,4-dihydroxybenzylidene)succinic acid, 2,3-bis[(3,4-dihydroxyphenyl)methylene]butanedioic acid
| Molecular Formula | C18H14O8 |
|---|---|
| Molecular Weight | 358.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.06888 |
| Heavy Atoms | 26 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 132367-95-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=C(C(=CC2=CC(=C(C=C2)O)O)C(=O)O)C(=O)O)O)O |
| InChIKey | GCLKVDNBAFNKAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanedioic acid, bis[(3,4-dihydroxyphenyl)methylene]- (CAS 132367-95-4), with molecular formula C18H14O8 and molecular weight 358.07 g/mol. IUPAC: 2,3-bis[(3,4-dihydroxyphenyl)methylidene]butanedioic acid.
Chemical Property Profile of Butanedioic acid, bis[(3,4-dihydroxyphenyl)methylene]-
Property Insights of Butanedioic acid, bis[(3,4-dihydroxyphenyl)methylene]-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanedioic acid, bis[(3,4-dihydroxyphenyl)methylene]-. The TPSA of 156.0 Ų indicates high polarity, suggesting Butanedioic acid, bis[(3,4-dihydroxyphenyl)methylene]- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Butanedioic acid, bis[(3,4-dihydroxyphenyl)methylene]- has 6 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 Butanedioic acid, bis[(3,4-dihydroxyphenyl)methylene]-?
The CAS number of Butanedioic acid, bis[(3,4-dihydroxyphenyl)methylene]- is 132367-95-4.
What is the molecular formula of Butanedioic acid, bis[(3,4-dihydroxyphenyl)methylene]-?
The molecular formula of Butanedioic acid, bis[(3,4-dihydroxyphenyl)methylene]- is C18H14O8.
What is the molecular weight of Butanedioic acid, bis[(3,4-dihydroxyphenyl)methylene]-?
The molecular weight of Butanedioic acid, bis[(3,4-dihydroxyphenyl)methylene]- is 358.07 g/mol.
Where can I buy Butanedioic acid, bis[(3,4-dihydroxyphenyl)methylene]-?
You can request a quote for Butanedioic acid, bis[(3,4-dihydroxyphenyl)methylene]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanedioic acid, bis[(3,4-dihydroxyphenyl)methylene]-?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, bis[(3,4-dihydroxyphenyl)methylene]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.