Butanedioic acid, mono(4-hydroxy-3-sulfophenyl)ester, compd. with pyridine (1:1)
TL;DR: Butanedioic acid, mono(4-hydroxy-3-sulfophenyl)ester, compd. with pyridine (1:1) (CAS 59687-27-3) is a chemical compound with molecular formula C15H15NO8S and molecular weight 369.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-hydroxy-3-sulfophenoxy)-4-oxobutanoic acid;pyridine
Also Known As: Mono(4-hydroxy-3-sulfophenyl)ester of butanedioic acid compd. with pyridine (1:1), BUTANEDIOIC ACID, MONO(4-HYDROXY-3-SULFOPHENYL)ESTER, compd. with PYRIDINE (1:1), 4-(4-hydroxy-3-sulfophenoxy)-4-oxobutanoic acid; pyridine, 4-(4-Hydroxy-3-sulfophenoxy)-4-oxobutanoic acid--pyridine (1/1), RefChem:330617
| Molecular Formula | C15H15NO8S |
|---|---|
| Molecular Weight | 369.05 g/mol |
| LogP | 1.49 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 369.05185 |
| Heavy Atoms | 25 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 59687-27-3 |
|---|---|
| SMILES | C1=CC=NC=C1.C1=CC(=C(C=C1OC(=O)CCC(=O)O)S(=O)(=O)O)O |
| InChIKey | XXZIHIMQWQTWMV-UHFFFAOYSA-N |
Product Overview
Butanedioic acid, mono(4-hydroxy-3-sulfophenyl)ester, compd. with pyridine (1:1) (CAS 59687-27-3), with molecular formula C15H15NO8S and molecular weight 369.05 g/mol. IUPAC: 4-(4-hydroxy-3-sulfophenoxy)-4-oxobutanoic acid;pyridine.
Chemical Property Profile of Butanedioic acid, mono(4-hydroxy-3-sulfophenyl)ester, compd. with pyridine (1:1)
Property Insights of Butanedioic acid, mono(4-hydroxy-3-sulfophenyl)ester, compd. with pyridine (1:1)
The XLogP value of 1.49 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanedioic acid, mono(4-hydroxy-3-sulfophenyl)ester, compd. with pyridine (1:1). The TPSA of 159.0 Ų indicates high polarity, suggesting Butanedioic acid, mono(4-hydroxy-3-sulfophenyl)ester, compd. with pyridine (1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Butanedioic acid, mono(4-hydroxy-3-sulfophenyl)ester, compd. with pyridine (1:1) has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butanedioic acid, mono(4-hydroxy-3-sulfophenyl)ester, compd. with pyridine (1:1)?
The CAS number of Butanedioic acid, mono(4-hydroxy-3-sulfophenyl)ester, compd. with pyridine (1:1) is 59687-27-3.
What is the molecular formula of Butanedioic acid, mono(4-hydroxy-3-sulfophenyl)ester, compd. with pyridine (1:1)?
The molecular formula of Butanedioic acid, mono(4-hydroxy-3-sulfophenyl)ester, compd. with pyridine (1:1) is C15H15NO8S.
What is the molecular weight of Butanedioic acid, mono(4-hydroxy-3-sulfophenyl)ester, compd. with pyridine (1:1)?
The molecular weight of Butanedioic acid, mono(4-hydroxy-3-sulfophenyl)ester, compd. with pyridine (1:1) is 369.05 g/mol.
Where can I buy Butanedioic acid, mono(4-hydroxy-3-sulfophenyl)ester, compd. with pyridine (1:1)?
You can request a quote for Butanedioic acid, mono(4-hydroxy-3-sulfophenyl)ester, compd. with pyridine (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanedioic acid, mono(4-hydroxy-3-sulfophenyl)ester, compd. with pyridine (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, mono(4-hydroxy-3-sulfophenyl)ester, compd. with pyridine (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.