CM 40874
TL;DR: CM 40874 (CAS 87286-08-6) is a chemical compound with molecular formula C25H26N6O8S3 and molecular weight 634.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6S,7S)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-8-oxo-3-[(1-prop-2-enylpyridin-1-ium-2-yl)sulfinylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: CM 40874, (6S,7S)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-8-oxo-3-[(1-prop-2-enylpyridin-1-ium-2-yl)sulfinylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, Pyridinium, 2-(((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-(2-propenyl)-, hydroxide, inner salt, S-oxide, (6R-(6alpha,7beta(Z)))-
| Molecular Formula | C25H26N6O8S3 |
|---|---|
| Molecular Weight | 634.10 g/mol |
| LogP | -1.0056 |
| Topological Polar Surface Area | 208.29 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 634.0974 |
| Heavy Atoms | 42 |
| Complexity | 1551.8083 |
Chemical Identifiers
| CAS Number | 87286-08-6 |
|---|---|
| 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)CS(=O)C4=CC=CC=[N+]4CC=C)C(=O)[O-] |
Product Overview
CM 40874 (CAS 87286-08-6), with molecular formula C25H26N6O8S3 and molecular weight 634.10 g/mol. IUPAC: (6S,7S)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-8-oxo-3-[(1-prop-2-enylpyridin-1-ium-2-yl)sulfinylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.
Chemical Property Profile of CM 40874
Property Insights of CM 40874
The XLogP value of -1.0056 indicates that CM 40874 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 208.29 Ų indicates high polarity, suggesting CM 40874 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CM 40874 has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CM 40874?
The CAS number of CM 40874 is 87286-08-6.
What is the molecular formula of CM 40874?
The molecular formula of CM 40874 is C25H26N6O8S3.
What is the molecular weight of CM 40874?
The molecular weight of CM 40874 is 634.10 g/mol.
Where can I buy CM 40874?
You can request a quote for CM 40874 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CM 40874?
Yes, KEHONG BIO provides custom synthesis services for CM 40874 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.