3,4-didehydro-4-deoxysiastatin B
TL;DR: 3,4-didehydro-4-deoxysiastatin B (CAS 142779-94-0) is a chemical compound with molecular formula C8H12N2O4 and molecular weight 200.07971 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3S)-2-acetamido-3-hydroxy-1,2,3,6-tetrahydropyridine-5-carboxylic acid
Also Known As: Dhdo-siastatin B, 3,4-Didehydro-4-deoxysiastatin B, (2R,3S)-2-acetamido-3-hydroxy-1,2,3,6-tetrahydropyridine-5-carboxylic acid, (5S,6R)-6-ACETAMIDO-5-HYDROXY-1,2,5,6-TETRAHYDROPYRIDINE-3-CARBOXYLIC ACID, (5S)-1,2,5,6-Tetrahydro-5alpha-hydroxy-6beta-acetylamino-3-pyridinecarboxylic acid
Technical Specifications
| Molecular Formula | C8H12N2O4 |
| Molecular Weight | 200.07971 g/mol |
| XLogP | -4.2 |
| Topological Polar Surface Area (TPSA) | 98.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.07971 Da |
| Heavy Atoms | 14 |
| Complexity | 287.0 |
| SMILES | CC(=O)N[C@@H]1[C@H](C=C(CN1)C(=O)O)O |
| InChIKey | FEWAMSIVMNWVLK-NKWVEPMBSA-N |
Chemical Property Profile of 3,4-didehydro-4-deoxysiastatin B
Property Insights of 3,4-didehydro-4-deoxysiastatin B
The XLogP value of -4.2 indicates that 3,4-didehydro-4-deoxysiastatin B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-didehydro-4-deoxysiastatin B. Following Lipinski's Rule of Five, 3,4-didehydro-4-deoxysiastatin B has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,4-didehydro-4-deoxysiastatin B?
The CAS number of 3,4-didehydro-4-deoxysiastatin B is 142779-94-0.
What is the molecular formula of 3,4-didehydro-4-deoxysiastatin B?
The molecular formula of 3,4-didehydro-4-deoxysiastatin B is C8H12N2O4.
What is the molecular weight of 3,4-didehydro-4-deoxysiastatin B?
The molecular weight of 3,4-didehydro-4-deoxysiastatin B is 200.07971 g/mol.
Where can I buy 3,4-didehydro-4-deoxysiastatin B?
You can request a quote for 3,4-didehydro-4-deoxysiastatin B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4-didehydro-4-deoxysiastatin B?
Yes, CoreyChem provides custom synthesis services for 3,4-didehydro-4-deoxysiastatin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.