CTK5F1758
TL;DR: CTK5F1758 (CAS 84080-55-7) is a chemical compound with molecular formula C17H17N9O7S2 and molecular weight 523.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-7-[[2-(carboxymethoxyimino)-2-(1H-pyrazol-5-yl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2Z)-[(carboxymethoxy)imino]-1H-pyrazol-3-ylacetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-,(6R,7R)- (9CI)
| Molecular Formula | C17H17N9O7S2 |
|---|---|
| Molecular Weight | 523.07 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 268.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 523.0692 |
| Heavy Atoms | 35 |
| Complexity | 964.0 |
Chemical Identifiers
| CAS Number | 84080-55-7 |
|---|---|
| SMILES | CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)C(=NOCC(=O)O)C4=CC=NN4)SC2)C(=O)O |
| InChIKey | AXCIEQAUBGQHIM-IAQYHMDHSA-N |
Product Overview
CTK5F1758 (CAS 84080-55-7), with molecular formula C17H17N9O7S2 and molecular weight 523.07 g/mol. IUPAC: (6R,7R)-7-[[2-(carboxymethoxyimino)-2-(1H-pyrazol-5-yl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of CTK5F1758
Property Insights of CTK5F1758
The XLogP value of -0.7 indicates that CTK5F1758 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 268.0 Ų indicates high polarity, suggesting CTK5F1758 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK5F1758 has 4 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK5F1758?
The CAS number of CTK5F1758 is 84080-55-7.
What is the molecular formula of CTK5F1758?
The molecular formula of CTK5F1758 is C17H17N9O7S2.
What is the molecular weight of CTK5F1758?
The molecular weight of CTK5F1758 is 523.07 g/mol.
Where can I buy CTK5F1758?
You can request a quote for CTK5F1758 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5F1758?
Yes, KEHONG BIO provides custom synthesis services for CTK5F1758 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.