(4S,5S)-4,5-Dihydroxy-5-(hydroxymethyl)-2-cyclopenten-1-one
TL;DR: (4S,5S)-4,5-Dihydroxy-5-(hydroxymethyl)-2-cyclopenten-1-one (CAS 5447-45-0) is a chemical compound with molecular formula C6H8O4 and molecular weight 144.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,5S)-4,5-dihydroxy-5-(hydroxymethyl)cyclopent-2-en-1-one
Also Known As: Pentenomycin I, Antibiotic XB 94, pentenomycinI, Antibiotic C 2554B, Epi pentenomycin I
| Molecular Formula | C6H8O4 |
|---|---|
| Molecular Weight | 144.04 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 144.04225 |
| Heavy Atoms | 10 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 5447-45-0 |
|---|---|
| SMILES | C1=CC(=O)[C@@]([C@H]1O)(CO)O |
| InChIKey | NCKMZWFKQTWDTD-NJGYIYPDSA-N |
Product Overview
(4S,5S)-4,5-Dihydroxy-5-(hydroxymethyl)-2-cyclopenten-1-one (CAS 5447-45-0), with molecular formula C6H8O4 and molecular weight 144.04 g/mol. IUPAC: (4S,5S)-4,5-dihydroxy-5-(hydroxymethyl)cyclopent-2-en-1-one.
Chemical Property Profile of (4S,5S)-4,5-Dihydroxy-5-(hydroxymethyl)-2-cyclopenten-1-one
Property Insights of (4S,5S)-4,5-Dihydroxy-5-(hydroxymethyl)-2-cyclopenten-1-one
The XLogP value of -1.4 indicates that (4S,5S)-4,5-Dihydroxy-5-(hydroxymethyl)-2-cyclopenten-1-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (4S,5S)-4,5-Dihydroxy-5-(hydroxymethyl)-2-cyclopenten-1-one. Following Lipinski's Rule of Five, (4S,5S)-4,5-Dihydroxy-5-(hydroxymethyl)-2-cyclopenten-1-one has 3 hydrogen bond donor(s) and 4 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 (4S,5S)-4,5-Dihydroxy-5-(hydroxymethyl)-2-cyclopenten-1-one?
The CAS number of (4S,5S)-4,5-Dihydroxy-5-(hydroxymethyl)-2-cyclopenten-1-one is 5447-45-0.
What is the molecular formula of (4S,5S)-4,5-Dihydroxy-5-(hydroxymethyl)-2-cyclopenten-1-one?
The molecular formula of (4S,5S)-4,5-Dihydroxy-5-(hydroxymethyl)-2-cyclopenten-1-one is C6H8O4.
What is the molecular weight of (4S,5S)-4,5-Dihydroxy-5-(hydroxymethyl)-2-cyclopenten-1-one?
The molecular weight of (4S,5S)-4,5-Dihydroxy-5-(hydroxymethyl)-2-cyclopenten-1-one is 144.04 g/mol.
Where can I buy (4S,5S)-4,5-Dihydroxy-5-(hydroxymethyl)-2-cyclopenten-1-one?
You can request a quote for (4S,5S)-4,5-Dihydroxy-5-(hydroxymethyl)-2-cyclopenten-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4S,5S)-4,5-Dihydroxy-5-(hydroxymethyl)-2-cyclopenten-1-one?
Yes, KEHONG BIO provides custom synthesis services for (4S,5S)-4,5-Dihydroxy-5-(hydroxymethyl)-2-cyclopenten-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.