RefChem:296495
TL;DR: RefChem:296495 (CAS 114082-58-5) is a chemical compound with molecular formula C30H34N8O7S and molecular weight 650.2271 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,5R,6R)-6-[[2-[[2-(4-ethylpiperazin-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
Also Known As: 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((((2-(4-ethyl-1-piperazinyl)-1,5-dihydro-5-oxopyrido(2,3-d)pyrimidin-6-yl)carbonyl)amino)(4-hydroxyphenyl)acetyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2-alpha,5-alpha,6-beta(S*))), hydrate (1:5), (2S,5R,6R)-6-[[2-[[2-(4-ethylpiperazin-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, (2S,5R,6R)-6-{[2-({[2-(4-Ethylpiperazin-1-yl)-5-oxo-1,5-dihydropyrido[2,3-d]pyrimidin-6-yl](hydroxy)methylidene}amino)-1-hydroxy-2-(4-hydroxyphenyl)ethylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-{[2-({[2-(4-Ethylpiperazin-1-yl)-5-oxo-1,5-dihydropyrido[2,3-d]pyrimidin-6-yl](hydroxy)methylidene}amino)-1-hydroxy-2-(4-hydroxyphenyl)ethylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Technical Specifications
| Molecular Formula | C30H34N8O7S |
| Molecular Weight | 650.2271 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 223.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 650.2271 Da |
| Heavy Atoms | 46 |
| Complexity | 1280.0 |
| SMILES | CCN1CCN(CC1)C2=NC=C3C(=O)C(=CNC3=N2)C(=O)NC(C4=CC=C(C=C4)O)C(=O)N[C@H]5[C@@H]6N(C5=O)[C@H](C(S6)(C)C)C(=O)O |
| InChIKey | UBMYAIDMWAFKDP-KTPFJDCYSA-N |
Chemical Property Profile of RefChem:296495
Property Insights of RefChem:296495
The XLogP value of -0.4 indicates that RefChem:296495 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 223.0 Ų indicates high polarity, suggesting RefChem:296495 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:296495 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:296495?
The CAS number of RefChem:296495 is 114082-58-5.
What is the molecular formula of RefChem:296495?
The molecular formula of RefChem:296495 is C30H34N8O7S.
What is the molecular weight of RefChem:296495?
The molecular weight of RefChem:296495 is 650.2271 g/mol.
Where can I buy RefChem:296495?
You can request a quote for RefChem:296495 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:296495?
Yes, CoreyChem provides custom synthesis services for RefChem:296495 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.