Adecypenol
TL;DR: Adecypenol (CAS 104493-13-2) is a chemical compound with molecular formula C12H16N4O4 and molecular weight 280.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol
Also Known As: Adecypenol, Antibiotic OM 3223, OM 3223, 3-Cyclopentene-1,2-diol, 5-(7,8-dihydro-8-hydroxyimidazo(4,5-d)(1,3)diazepin-3(4H)-yl)-3-(hydroxymethyl)-, 5-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol
| Molecular Formula | C12H16N4O4 |
|---|---|
| Molecular Weight | 280.12 g/mol |
| LogP | -3.3 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.11716 |
| Heavy Atoms | 20 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 104493-13-2 |
|---|---|
| SMILES | C1C(C2=C(NC=N1)N(C=N2)C3C=C(C(C3O)O)CO)O |
| InChIKey | WJSAFKJWCOMTLH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Adecypenol (CAS 104493-13-2), with molecular formula C12H16N4O4 and molecular weight 280.12 g/mol. IUPAC: 5-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol.
Chemical Property Profile of Adecypenol
Property Insights of Adecypenol
The XLogP value of -3.3 indicates that Adecypenol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Adecypenol. Following Lipinski's Rule of Five, Adecypenol has 5 hydrogen bond donor(s) and 6 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 Adecypenol?
The CAS number of Adecypenol is 104493-13-2.
What is the molecular formula of Adecypenol?
The molecular formula of Adecypenol is C12H16N4O4.
What is the molecular weight of Adecypenol?
The molecular weight of Adecypenol is 280.12 g/mol.
Where can I buy Adecypenol?
You can request a quote for Adecypenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adecypenol?
Yes, KEHONG BIO provides custom synthesis services for Adecypenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.