Ici 194008
TL;DR: Ici 194008 (CAS 112606-65-2) is a chemical compound with molecular formula C26H28N8O7S3 and molecular weight 660.1243 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-[[ethyl-(1-methylthieno[2,3-d]pyrimidin-1-ium-4-yl)amino]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: Ici 194008, (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-[[ethyl-(1-methylthieno[2,3-d]pyrimidin-1-ium-4-yl)amino]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, Thieno(2,3-d)pyrimidinium, 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)ethylamino)-1-methyl-, hydroxide, inner salt, (6R-(6alpha,7beta(Z)))-, 4-({[(6R,7R)-7-[2-(2-amino-1,3-thiazol-4-yl)-2-[(1-carboxy-1-methylethoxy)imino]acetamido]-2-carboxylato-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}(ethyl)amino)-1-methylthieno[2,3-d]pyrimidin-1-ium, 4-[[[(6R)-7alpha-[[(2-Amino-4-thiazolyl)[(1-carboxy-1-methylethoxy)imino]acetyl]amino]-2-carboxylato-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]ethylamino]-1-methylthieno[2,3-d]pyrimidin-1-ium
Technical Specifications
| Molecular Formula | C26H28N8O7S3 |
| Molecular Weight | 660.1243 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 289.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 10 |
| Exact Mass | 660.1243 Da |
| Heavy Atoms | 44 |
| Complexity | 1250.0 |
| SMILES | CCN(CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N/OC(C)(C)C(=O)O)/C3=CSC(=N3)N)SC1)C(=O)[O-])C4=C5C=CSC5=[N+](C=N4)C |
| InChIKey | UTIIUUIQHFQQRL-SEVZJSAHSA-N |
Chemical Property Profile of Ici 194008
Property Insights of Ici 194008
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ici 194008. The TPSA of 289.0 Ų indicates high polarity, suggesting Ici 194008 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ici 194008 has 3 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Ici 194008?
The CAS number of Ici 194008 is 112606-65-2.
What is the molecular formula of Ici 194008?
The molecular formula of Ici 194008 is C26H28N8O7S3.
What is the molecular weight of Ici 194008?
The molecular weight of Ici 194008 is 660.1243 g/mol.
Where can I buy Ici 194008?
You can request a quote for Ici 194008 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ici 194008?
Yes, CoreyChem provides custom synthesis services for Ici 194008 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.