![rel-(1R,4R,5R)-4-Hydroxy-6-(3-hydroxypropyl)-6-azabicyclo[3.2.0]hept-2-en-7-one structure](/static/products/1878/187863-76-9.webp)
rel-(1R,4R,5R)-4-Hydroxy-6-(3-hydroxypropyl)-6-azabicyclo[3.2.0]hept-2-en-7-one
TL;DR: rel-(1R,4R,5R)-4-Hydroxy-6-(3-hydroxypropyl)-6-azabicyclo[3.2.0]hept-2-en-7-one (CAS 187863-76-9) is a chemical compound with molecular formula C9H13NO3 and molecular weight 183.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4R,5R)-4-hydroxy-6-(3-hydroxypropyl)-6-azabicyclo[3.2.0]hept-2-en-7-one
Also Known As: rel-(1R,4R,5R)-4-hydroxy-6-(3-hydroxypropyl)-6-azabicyclo[3.2.0]hept-2-en-7-one, (1R,4R,5R)-4-hydroxy-6-(3-hydroxypropyl)-6-azabicyclo[3.2.0]hept-2-en-7-one, 6-azabicyclo[3.2.0]hept-2-en-7-one, 4-hydroxy-6-(3-hydroxypropyl)-, (1R,4R,5R)-, 6-azabicyclo(3.2.0)hept-2-en-7-one, 4-hydroxy-6-(3-hydroxypropyl)-, (1R,4R,5R)-, rel-(1R,4R,5R)-4-Hydroxy-6-(3-hydroxypropyl)-6-azabicyclo(3.2.0)hept-2-en-7-one
| Molecular Formula | C9H13NO3 |
|---|---|
| Molecular Weight | 183.09 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.08954 |
| Heavy Atoms | 13 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 187863-76-9 |
|---|---|
| SMILES | C1=C[C@H]([C@H]2[C@@H]1C(=O)N2CCCO)O |
| InChIKey | AIWQEUCRAQPJJQ-BWZBUEFSSA-N |
Product Overview
rel-(1R,4R,5R)-4-Hydroxy-6-(3-hydroxypropyl)-6-azabicyclo[3.2.0]hept-2-en-7-one (CAS 187863-76-9), with molecular formula C9H13NO3 and molecular weight 183.09 g/mol. IUPAC: (1R,4R,5R)-4-hydroxy-6-(3-hydroxypropyl)-6-azabicyclo[3.2.0]hept-2-en-7-one.
Chemical Property Profile of rel-(1R,4R,5R)-4-Hydroxy-6-(3-hydroxypropyl)-6-azabicyclo[3.2.0]hept-2-en-7-one
Property Insights of rel-(1R,4R,5R)-4-Hydroxy-6-(3-hydroxypropyl)-6-azabicyclo[3.2.0]hept-2-en-7-one
The XLogP value of -1.0 indicates that rel-(1R,4R,5R)-4-Hydroxy-6-(3-hydroxypropyl)-6-azabicyclo[3.2.0]hept-2-en-7-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for rel-(1R,4R,5R)-4-Hydroxy-6-(3-hydroxypropyl)-6-azabicyclo[3.2.0]hept-2-en-7-one. Following Lipinski's Rule of Five, rel-(1R,4R,5R)-4-Hydroxy-6-(3-hydroxypropyl)-6-azabicyclo[3.2.0]hept-2-en-7-one has 2 hydrogen bond donor(s) and 3 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 rel-(1R,4R,5R)-4-Hydroxy-6-(3-hydroxypropyl)-6-azabicyclo[3.2.0]hept-2-en-7-one?
The CAS number of rel-(1R,4R,5R)-4-Hydroxy-6-(3-hydroxypropyl)-6-azabicyclo[3.2.0]hept-2-en-7-one is 187863-76-9.
What is the molecular formula of rel-(1R,4R,5R)-4-Hydroxy-6-(3-hydroxypropyl)-6-azabicyclo[3.2.0]hept-2-en-7-one?
The molecular formula of rel-(1R,4R,5R)-4-Hydroxy-6-(3-hydroxypropyl)-6-azabicyclo[3.2.0]hept-2-en-7-one is C9H13NO3.
What is the molecular weight of rel-(1R,4R,5R)-4-Hydroxy-6-(3-hydroxypropyl)-6-azabicyclo[3.2.0]hept-2-en-7-one?
The molecular weight of rel-(1R,4R,5R)-4-Hydroxy-6-(3-hydroxypropyl)-6-azabicyclo[3.2.0]hept-2-en-7-one is 183.09 g/mol.
Where can I buy rel-(1R,4R,5R)-4-Hydroxy-6-(3-hydroxypropyl)-6-azabicyclo[3.2.0]hept-2-en-7-one?
You can request a quote for rel-(1R,4R,5R)-4-Hydroxy-6-(3-hydroxypropyl)-6-azabicyclo[3.2.0]hept-2-en-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rel-(1R,4R,5R)-4-Hydroxy-6-(3-hydroxypropyl)-6-azabicyclo[3.2.0]hept-2-en-7-one?
Yes, KEHONG BIO provides custom synthesis services for rel-(1R,4R,5R)-4-Hydroxy-6-(3-hydroxypropyl)-6-azabicyclo[3.2.0]hept-2-en-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.