CM 40876
TL;DR: CM 40876 (CAS 116763-49-6) is a chemical compound with molecular formula C23H24N6O8S3 and molecular weight 608.0818 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(E)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(6S,7S)-2-carboxy-3-[(1-methylpyridin-1-ium-4-yl)sulfanylmethyl]-5,8-dioxo-5λ4-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoate
Also Known As: CM 40876, 2-[(E)-[1-(2-Amino-1,3-thiazol-4-yl)-2-[[(6S,7S)-2-carboxy-3-[(1-methylpyridin-1-ium-4-yl)sulfanylmethyl]-5,8-dioxo-5lambda4-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoate, Pyridinium, 4-(((7-(((2-amino-4-thiazolyl)((1-carboxy-1-methylethoxy)imino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)thio)-1-methyl-, hydroxide, inner salt, S-oxide, (6R-(6alpha,7beta(Z)))-
Technical Specifications
| Molecular Formula | C23H24N6O8S3 |
| Molecular Weight | 608.0818 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 281.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 9 |
| Exact Mass | 608.0818 Da |
| Heavy Atoms | 40 |
| Complexity | 1150.0 |
| SMILES | CC(C)(C(=O)[O-])O/N=C(\C1=CSC(=N1)N)/C(=O)N[C@@H]2[C@H]3N(C2=O)C(=C(CS3=O)CSC4=CC=[N+](C=C4)C)C(=O)O |
| InChIKey | HCCFUFNFJIUPHS-UMIMETMPSA-N |
Chemical Property Profile of CM 40876
Property Insights of CM 40876
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CM 40876. The TPSA of 281.0 Ų indicates high polarity, suggesting CM 40876 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CM 40876 has 3 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of CM 40876?
The CAS number of CM 40876 is 116763-49-6.
What is the molecular formula of CM 40876?
The molecular formula of CM 40876 is C23H24N6O8S3.
What is the molecular weight of CM 40876?
The molecular weight of CM 40876 is 608.0818 g/mol.
Where can I buy CM 40876?
You can request a quote for CM 40876 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for CM 40876?
Yes, CoreyChem provides custom synthesis services for CM 40876 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.