Huj8KC9QC9
TL;DR: Huj8KC9QC9 (CAS 165817-65-2) is a chemical compound with molecular formula C18H17NNaO4S2 and molecular weight 398.04968 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
Also Known As: J-110441 SODIUM, 1-AZABICYCLO(3.2.0)HEPT-2-ENE-2-CARBOXYLIC ACID, 3-(BENZO(B)THIEN-2-YLTHIO)-6-((1R)-1-HYDROXYETHYL)-4-METHYL-7-OXO-, MONOSODIUM SALT, (4R,5S,6S)-, 1-AZABICYCLO(3.2.0)HEPT-2-ENE-2-CARBOXYLIC ACID, 3-(BENZO(B)THIEN-2-YLTHIO)-6-(1-HYDROXYETHYL)-4-METHYL-7-OXO-, MONOSODIUM SALT, (4R-(4.ALPHA.,5.BETA.,6.BETA.(R*)))-, SODIUM (4R,5S,6S)-3-(1-BENZOTHIOPHEN-2-YLSULFANYL)-6-((1R)-1-HYDROXYETHYL)-4-METHYL-7-OXO-1-AZABICYCLO(3.2.0)HEPT-2-ENE-2-CARBOXYLATE, HUJ8KC9QC9
Technical Specifications
| Molecular Formula | C18H17NNaO4S2 |
| Molecular Weight | 398.04968 g/mol |
| XLogP | 2.7663 |
| Topological Polar Surface Area (TPSA) | 131.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.04968 Da |
| Heavy Atoms | 26 |
| Complexity | 637.0 |
| SMILES | C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC3=CC4=CC=CC=C4S3)C(=O)O)[C@@H](C)O.[Na] |
| InChIKey | AGJYKLLIWIYHCV-WJSHLSPASA-N |
Chemical Property Profile of Huj8KC9QC9
Property Insights of Huj8KC9QC9
The XLogP value of 2.7663 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Huj8KC9QC9. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Huj8KC9QC9. Following Lipinski's Rule of Five, Huj8KC9QC9 has 2 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 Huj8KC9QC9?
The CAS number of Huj8KC9QC9 is 165817-65-2.
What is the molecular formula of Huj8KC9QC9?
The molecular formula of Huj8KC9QC9 is C18H17NNaO4S2.
What is the molecular weight of Huj8KC9QC9?
The molecular weight of Huj8KC9QC9 is 398.04968 g/mol.
Where can I buy Huj8KC9QC9?
You can request a quote for Huj8KC9QC9 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Huj8KC9QC9?
Yes, CoreyChem provides custom synthesis services for Huj8KC9QC9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.