![4-[(2S,3S,4R,5R)-3,4-Dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]benzoic acid structure](/static/products/188/188745-02-0.png)
4-[(2S,3S,4R,5R)-3,4-Dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]benzoic acid
TL;DR: 4-[(2S,3S,4R,5R)-3,4-Dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]benzoic acid (CAS 188745-02-0) is a chemical compound with molecular formula C12H15NO5 and molecular weight 253.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]benzoic acid
Also Known As: 4-[(2S,3S,4R,5R)-3,4-Dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]benzoic acid, 4-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]benzoic acid, 4-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]benzoic Acid, 4-[(2S)-3alpha,4alpha-Dihydroxy-5beta-hydroxymethylpyrrolidin-2beta-yl]benzoic acid, 4-[(2S,3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PYRROLIDIN-2-YL]BENZOIC ACID
| Molecular Formula | C12H15NO5 |
|---|---|
| Molecular Weight | 253.10 g/mol |
| LogP | -0.8882 |
| Topological Polar Surface Area | 110.02 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.09502 |
| Heavy Atoms | 18 |
| Complexity | 432.59885 |
Chemical Identifiers
| CAS Number | 188745-02-0 |
|---|---|
| SMILES | C1=CC(=CC=C1[C@H]2[C@@H]([C@@H]([C@H](N2)CO)O)O)C(=O)O |
Product Overview
4-[(2S,3S,4R,5R)-3,4-Dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]benzoic acid (CAS 188745-02-0), with molecular formula C12H15NO5 and molecular weight 253.10 g/mol. IUPAC: 4-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]benzoic acid.
Chemical Property Profile of 4-[(2S,3S,4R,5R)-3,4-Dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]benzoic acid
Property Insights of 4-[(2S,3S,4R,5R)-3,4-Dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]benzoic acid
The XLogP value of -0.8882 indicates that 4-[(2S,3S,4R,5R)-3,4-Dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]benzoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2S,3S,4R,5R)-3,4-Dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]benzoic acid. Following Lipinski's Rule of Five, 4-[(2S,3S,4R,5R)-3,4-Dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]benzoic acid has 5 hydrogen bond donor(s) and 5 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 4-[(2S,3S,4R,5R)-3,4-Dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]benzoic acid?
The CAS number of 4-[(2S,3S,4R,5R)-3,4-Dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]benzoic acid is 188745-02-0.
What is the molecular formula of 4-[(2S,3S,4R,5R)-3,4-Dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]benzoic acid?
The molecular formula of 4-[(2S,3S,4R,5R)-3,4-Dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]benzoic acid is C12H15NO5.
What is the molecular weight of 4-[(2S,3S,4R,5R)-3,4-Dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]benzoic acid?
The molecular weight of 4-[(2S,3S,4R,5R)-3,4-Dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]benzoic acid is 253.10 g/mol.
Where can I buy 4-[(2S,3S,4R,5R)-3,4-Dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]benzoic acid?
You can request a quote for 4-[(2S,3S,4R,5R)-3,4-Dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2S,3S,4R,5R)-3,4-Dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2S,3S,4R,5R)-3,4-Dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.