Antibiotic 88617
TL;DR: Antibiotic 88617 (CAS 126210-33-1) is a chemical compound with molecular formula C14H20FN3O3S and molecular weight 329.12094 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5R,6S)-3-[2-(dimethylamino)-2-methyliminoethyl]sulfanyl-6-[(1R)-1-fluoroethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Also Known As: Antibiotic 88617, 88617 Antibiotic, KST-1A0960, (5r,6s)-3-{[(2z)-2-(dimethylamino)-2-(methylimino)ethyl]sulfanyl}-6-[(1r)-1-fluoroethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-(1-Fluoroethyl)-7-oxo-3-((N,N,N'-triemthylcarbamimidoyl)methyl)thio-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid
Technical Specifications
| Molecular Formula | C14H20FN3O3S |
| Molecular Weight | 329.12094 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 98.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 329.12094 Da |
| Heavy Atoms | 22 |
| Complexity | 562.0 |
| SMILES | C[C@H]([C@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCC(=NC)N(C)C)F |
| InChIKey | PCZBRDGZHMHPIE-XLDPMVHQSA-N |
Chemical Property Profile of Antibiotic 88617
Property Insights of Antibiotic 88617
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Antibiotic 88617. The TPSA of 98.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Antibiotic 88617. Following Lipinski's Rule of Five, Antibiotic 88617 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Antibiotic 88617?
The CAS number of Antibiotic 88617 is 126210-33-1.
What is the molecular formula of Antibiotic 88617?
The molecular formula of Antibiotic 88617 is C14H20FN3O3S.
What is the molecular weight of Antibiotic 88617?
The molecular weight of Antibiotic 88617 is 329.12094 g/mol.
Where can I buy Antibiotic 88617?
You can request a quote for Antibiotic 88617 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Antibiotic 88617?
Yes, CoreyChem provides custom synthesis services for Antibiotic 88617 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.