Calystegine A3
TL;DR: Calystegine A3 (CAS 131580-36-4) is a chemical compound with molecular formula C7H13NO3 and molecular weight 159.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,3R,5R)-8-azabicyclo[3.2.1]octane-1,2,3-triol
Also Known As: calystegine A3, Calystegin A3, (+)-Calystegine A3, ( )-Calystegine A3, (1R,5R)-Calystegine A3
| Molecular Formula | C7H13NO3 |
|---|---|
| Molecular Weight | 159.09 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 159.08954 |
| Heavy Atoms | 11 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 131580-36-4 |
|---|---|
| SMILES | C1C[C@]2([C@H]([C@@H](C[C@@H]1N2)O)O)O |
| InChIKey | XOCBOVUINUHZJA-MVIOUDGNSA-N |
Product Overview
Calystegine A3 (CAS 131580-36-4), with molecular formula C7H13NO3 and molecular weight 159.09 g/mol. IUPAC: (1R,2S,3R,5R)-8-azabicyclo[3.2.1]octane-1,2,3-triol.
Chemical Property Profile of Calystegine A3
Property Insights of Calystegine A3
The XLogP value of -1.5 indicates that Calystegine A3 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Calystegine A3. Following Lipinski's Rule of Five, Calystegine A3 has 4 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 Calystegine A3?
The CAS number of Calystegine A3 is 131580-36-4.
What is the molecular formula of Calystegine A3?
The molecular formula of Calystegine A3 is C7H13NO3.
What is the molecular weight of Calystegine A3?
The molecular weight of Calystegine A3 is 159.09 g/mol.
Where can I buy Calystegine A3?
You can request a quote for Calystegine A3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calystegine A3?
Yes, KEHONG BIO provides custom synthesis services for Calystegine A3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.