![3-[(1r,2r,6r)-5-Oxo-7-oxabicyclo[4.1.0]hept-2-yl]-l-alanine structure](/static/products/2897/28978-07-6.webp)
3-[(1r,2r,6r)-5-Oxo-7-oxabicyclo[4.1.0]hept-2-yl]-l-alanine
TL;DR: 3-[(1r,2r,6r)-5-Oxo-7-oxabicyclo[4.1.0]hept-2-yl]-l-alanine (CAS 28978-07-6) is a chemical compound with molecular formula C9H13NO4 and molecular weight 199.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-3-[(1R,2R,6R)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoic acid
Also Known As: Anticapsin, (2S)-2-amino-3-[(1R,2R,6R)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoic acid, 3-[(1r,2r,6r)-5-oxo-7-oxabicyclo[4.1.0]hept-2-yl]-l-alanine, (1R,6R,alphaS)-alpha-Amino-5-oxo-7-oxabicyclo[4.1.0]heptane-2beta-propionic acid, (S)-2-Amino-3-((1R,2R,6R)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl)propanoic acid
| Molecular Formula | C9H13NO4 |
|---|---|
| Molecular Weight | 199.08 g/mol |
| LogP | -3.1 |
| Topological Polar Surface Area | 92.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.08446 |
| Heavy Atoms | 14 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 28978-07-6 |
|---|---|
| SMILES | C1CC(=O)[C@H]2[C@@H]([C@H]1C[C@@H](C(=O)O)N)O2 |
| InChIKey | KHVZXXWDPSCGEK-ROHCDXGRSA-N |
Product Overview
3-[(1r,2r,6r)-5-Oxo-7-oxabicyclo[4.1.0]hept-2-yl]-l-alanine (CAS 28978-07-6), with molecular formula C9H13NO4 and molecular weight 199.08 g/mol. IUPAC: (2S)-2-amino-3-[(1R,2R,6R)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoic acid.
Chemical Property Profile of 3-[(1r,2r,6r)-5-Oxo-7-oxabicyclo[4.1.0]hept-2-yl]-l-alanine
Property Insights of 3-[(1r,2r,6r)-5-Oxo-7-oxabicyclo[4.1.0]hept-2-yl]-l-alanine
The XLogP value of -3.1 indicates that 3-[(1r,2r,6r)-5-Oxo-7-oxabicyclo[4.1.0]hept-2-yl]-l-alanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(1r,2r,6r)-5-Oxo-7-oxabicyclo[4.1.0]hept-2-yl]-l-alanine. Following Lipinski's Rule of Five, 3-[(1r,2r,6r)-5-Oxo-7-oxabicyclo[4.1.0]hept-2-yl]-l-alanine has 2 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 3-[(1r,2r,6r)-5-Oxo-7-oxabicyclo[4.1.0]hept-2-yl]-l-alanine?
The CAS number of 3-[(1r,2r,6r)-5-Oxo-7-oxabicyclo[4.1.0]hept-2-yl]-l-alanine is 28978-07-6.
What is the molecular formula of 3-[(1r,2r,6r)-5-Oxo-7-oxabicyclo[4.1.0]hept-2-yl]-l-alanine?
The molecular formula of 3-[(1r,2r,6r)-5-Oxo-7-oxabicyclo[4.1.0]hept-2-yl]-l-alanine is C9H13NO4.
What is the molecular weight of 3-[(1r,2r,6r)-5-Oxo-7-oxabicyclo[4.1.0]hept-2-yl]-l-alanine?
The molecular weight of 3-[(1r,2r,6r)-5-Oxo-7-oxabicyclo[4.1.0]hept-2-yl]-l-alanine is 199.08 g/mol.
Where can I buy 3-[(1r,2r,6r)-5-Oxo-7-oxabicyclo[4.1.0]hept-2-yl]-l-alanine?
You can request a quote for 3-[(1r,2r,6r)-5-Oxo-7-oxabicyclo[4.1.0]hept-2-yl]-l-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(1r,2r,6r)-5-Oxo-7-oxabicyclo[4.1.0]hept-2-yl]-l-alanine?
Yes, KEHONG BIO provides custom synthesis services for 3-[(1r,2r,6r)-5-Oxo-7-oxabicyclo[4.1.0]hept-2-yl]-l-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.