Chemical Compound (C15H16FN9O5S)
TL;DR: Chemical Compound (C15H16FN9O5S) (CAS 110012-78-7) is a chemical compound with molecular formula C15H16FN9O5S and molecular weight 453.0979 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3S)-2-(fluoromethyl)-4-oxo-1-(2H-tetrazol-5-yl)azetidin-3-yl]amino]-2-oxoethylidene]amino]oxycyclobutane-1-carboxylic acid
Technical Specifications
| Molecular Formula | C15H16FN9O5S |
| Molecular Weight | 453.0979 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 230.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 453.0979 Da |
| Heavy Atoms | 31 |
| Complexity | 784.0 |
| SMILES | C1CC(C1)(C(=O)O)ON=C(C2=CSC(=N2)N)C(=O)N[C@H]3[C@H](N(C3=O)C4=NNN=N4)CF |
| InChIKey | NKFCKCUQAPRRBR-APPZFPTMSA-N |
Chemical Property Profile of Chemical Compound (C15H16FN9O5S)
Property Insights of Chemical Compound (C15H16FN9O5S)
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chemical Compound (C15H16FN9O5S). The TPSA of 230.0 Ų indicates high polarity, suggesting Chemical Compound (C15H16FN9O5S) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chemical Compound (C15H16FN9O5S) has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Chemical Compound (C15H16FN9O5S)?
The CAS number of Chemical Compound (C15H16FN9O5S) is 110012-78-7.
What is the molecular formula of Chemical Compound (C15H16FN9O5S)?
The molecular formula of Chemical Compound (C15H16FN9O5S) is C15H16FN9O5S.
What is the molecular weight of Chemical Compound (C15H16FN9O5S)?
The molecular weight of Chemical Compound (C15H16FN9O5S) is 453.0979 g/mol.
Where can I buy Chemical Compound (C15H16FN9O5S)?
You can request a quote for Chemical Compound (C15H16FN9O5S) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Chemical Compound (C15H16FN9O5S)?
Yes, CoreyChem provides custom synthesis services for Chemical Compound (C15H16FN9O5S) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.