C31H31FN8O8S2
TL;DR: C31H31FN8O8S2 (CAS 131149-63-8) is a chemical compound with molecular formula C31H31FN8O8S2 and molecular weight 726.169 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carbonyl)oxymethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Ro 24-6392, Ro-24-6392, (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carbonyl)oxymethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-7-[[2-(2-Amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carbonyl)oxymethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Technical Specifications
| Molecular Formula | C31H31FN8O8S2 |
| Molecular Weight | 726.169 g/mol |
| XLogP | -1.9 |
| Topological Polar Surface Area (TPSA) | 263.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 11 |
| Exact Mass | 726.169 Da |
| Heavy Atoms | 50 |
| Complexity | 1540.0 |
| SMILES | CON=C(C1=CSC(=N1)N)C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)C4=CN(C5=CC(=C(C=C5C4=O)F)N6CCNCC6)C7CC7)C(=O)O |
| InChIKey | MPWTZPXSZLWXHL-QDPGVEIFSA-N |
Chemical Property Profile of C31H31FN8O8S2
Property Insights of C31H31FN8O8S2
The XLogP value of -1.9 indicates that C31H31FN8O8S2 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 263.0 Ų indicates high polarity, suggesting C31H31FN8O8S2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C31H31FN8O8S2 has 4 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C31H31FN8O8S2?
The CAS number of C31H31FN8O8S2 is 131149-63-8.
What is the molecular formula of C31H31FN8O8S2?
The molecular formula of C31H31FN8O8S2 is C31H31FN8O8S2.
What is the molecular weight of C31H31FN8O8S2?
The molecular weight of C31H31FN8O8S2 is 726.169 g/mol.
Where can I buy C31H31FN8O8S2?
You can request a quote for C31H31FN8O8S2 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C31H31FN8O8S2?
Yes, CoreyChem provides custom synthesis services for C31H31FN8O8S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.