Calystegine B1
TL;DR: Calystegine B1 (CAS 14933-97-2) is a chemical compound with molecular formula C7H13NO4 and molecular weight 175.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,3R,5S,6R)-8-azabicyclo[3.2.1]octane-1,2,3,6-tetrol
Also Known As: Calystegine B1, Calystegine B(1), Calystegin B1, (1R,2S,3R,5S,6R)-8-AZABICYCLO[3.2.1]OCTANE-1,2,3,6-TETROL, 8-azabicyclo[3.2.1]octane-1,2,3,6-tetrol
| Molecular Formula | C7H13NO4 |
|---|---|
| Molecular Weight | 175.08 g/mol |
| LogP | -2.4 |
| Topological Polar Surface Area | 93.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.08446 |
| Heavy Atoms | 12 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 14933-97-2 |
|---|---|
| SMILES | C1[C@H]2[C@@H](C[C@](N2)([C@H]([C@@H]1O)O)O)O |
| InChIKey | BQFFLYRIKODYEN-CXNFULCWSA-N |
Product Overview
Calystegine B1 (CAS 14933-97-2), with molecular formula C7H13NO4 and molecular weight 175.08 g/mol. IUPAC: (1R,2S,3R,5S,6R)-8-azabicyclo[3.2.1]octane-1,2,3,6-tetrol.
Chemical Property Profile of Calystegine B1
Property Insights of Calystegine B1
The XLogP value of -2.4 indicates that Calystegine B1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Calystegine B1. Following Lipinski's Rule of Five, Calystegine B1 has 5 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 Calystegine B1?
The CAS number of Calystegine B1 is 14933-97-2.
What is the molecular formula of Calystegine B1?
The molecular formula of Calystegine B1 is C7H13NO4.
What is the molecular weight of Calystegine B1?
The molecular weight of Calystegine B1 is 175.08 g/mol.
Where can I buy Calystegine B1?
You can request a quote for Calystegine B1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calystegine B1?
Yes, KEHONG BIO provides custom synthesis services for Calystegine B1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.