RefChem:1096083
TL;DR: RefChem:1096083 (CAS 114082-65-4) is a chemical compound with molecular formula C30H35IN8O7S and molecular weight 778.1394 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,5R,6R)-6-[[(2R)-2-[[2-(4,4-dimethylpiperazin-4-ium-1-yl)-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid iodide
Also Known As: Piperazinium, 4-(6-(((2-((2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)amino)-1-(4-hydroxyphenyl)-2-oxoethyl)amino)carbonyl)-1,5-dihydro-5-oxopyrido(2,3-d)pyrimidin-2-yl)-1,1-dimethyl-, iodide, (2S-(2-alpha,5-alpha,6-beta(S*)))-, hydrate (1:4), (2S,5R,6R)-6-[[(2R)-2-[[2-(4,4-dimethylpiperazin-4-ium-1-yl)-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid iodide
Technical Specifications
| Molecular Formula | C30H35IN8O7S |
| Molecular Weight | 778.1394 g/mol |
| XLogP | -2.9731 |
| Topological Polar Surface Area (TPSA) | 219.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 778.1394 Da |
| Heavy Atoms | 47 |
| Complexity | 1310.0 |
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)NC(=O)C4=CNC5=NC(=NC=C5C4=O)N6CC[N+](CC6)(C)C)C(=O)O)C.[I-] |
| InChIKey | UIAQPPTWWHAGPG-JFLHAVMPSA-N |
Product Description
Applications: RefChem:1096083 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies RefChem:1096083 (CAS 114082-65-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
RefChem:1096083 is a fine chemical identified by CAS number 114082-65-4 and the molecular formula C30H35IN8O7S and a molecular weight of 778.14 g/mol. It is also known as Piperazinium, 4-(6-(((2-((2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)amino)-1-(4-hydroxyphenyl)-2-oxoethyl)amino)carbonyl)-1,5-dihydro-5-oxopyrido(2,3-d)pyrimidin-2-yl)-1,1-dimethyl-, iodide, (2S-(2-alpha,5-alpha,6-beta(S*)))-, hydrate (1:4) and (2S,5R,6R)-6-[[(2R)-2-[[2-(4,4-dimethylpiperazin-4-ium-1-yl)-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid iodide.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of RefChem:1096083
Property Insights of RefChem:1096083
The XLogP value of -2.9731 indicates that RefChem:1096083 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 219.0 Ų indicates high polarity, suggesting RefChem:1096083 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1096083 has 5 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 RefChem:1096083?
The CAS number of RefChem:1096083 is 114082-65-4.
What is the molecular formula of RefChem:1096083?
The molecular formula of RefChem:1096083 is C30H35IN8O7S.
What is the molecular weight of RefChem:1096083?
The molecular weight of RefChem:1096083 is 778.1394 g/mol.
What are the applications of RefChem:1096083?
RefChem:1096083 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies RefChem:1096083 (CAS 114082-65-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and...
Where can I buy RefChem:1096083?
You can request a quote for RefChem:1096083 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1096083?
Yes, CoreyChem provides custom synthesis services for RefChem:1096083 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.