1-Deoxycastanospermine
TL;DR: 1-Deoxycastanospermine (CAS 13318-97-3) is a chemical compound with molecular formula C8H15NO3 and molecular weight 173.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6S,7R,8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol
Also Known As: 1-Deoxycastanospermine, 6,7,8-Trihydroxyindolizidine, Deoxycastanospermine, 1-deoxy-castanospermine, 1-Deoxy-6-epicastanospermine
| Molecular Formula | C8H15NO3 |
|---|---|
| Molecular Weight | 173.11 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 63.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.1052 |
| Heavy Atoms | 12 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 13318-97-3 |
|---|---|
| SMILES | C1C[C@@H]2[C@H]([C@@H]([C@H](CN2C1)O)O)O |
| InChIKey | NCQXPGNMJJWGLP-ULAWRXDQSA-N |
Product Overview
1-Deoxycastanospermine (CAS 13318-97-3), with molecular formula C8H15NO3 and molecular weight 173.11 g/mol. IUPAC: (6S,7R,8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol.
Chemical Property Profile of 1-Deoxycastanospermine
Property Insights of 1-Deoxycastanospermine
The XLogP value of -1.3 indicates that 1-Deoxycastanospermine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Deoxycastanospermine. Following Lipinski's Rule of Five, 1-Deoxycastanospermine has 3 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 1-Deoxycastanospermine?
The CAS number of 1-Deoxycastanospermine is 13318-97-3.
What is the molecular formula of 1-Deoxycastanospermine?
The molecular formula of 1-Deoxycastanospermine is C8H15NO3.
What is the molecular weight of 1-Deoxycastanospermine?
The molecular weight of 1-Deoxycastanospermine is 173.11 g/mol.
Where can I buy 1-Deoxycastanospermine?
You can request a quote for 1-Deoxycastanospermine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Deoxycastanospermine?
Yes, KEHONG BIO provides custom synthesis services for 1-Deoxycastanospermine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.