RefChem:296489
TL;DR: RefChem:296489 (CAS 114082-57-4) is a chemical compound with molecular formula C29H32N8O7S and molecular weight 636.2115 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,5R,6R)-6-[[2-(4-hydroxyphenyl)-2-[[2-(4-methylpiperazin-1-yl)-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonyl]amino]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-(((((1,5-dihydro-2-(4-methyl-1-piperazinyl)-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 (1:4), (2S,5R,6R)-6-[[2-(4-hydroxyphenyl)-2-[[2-(4-methylpiperazin-1-yl)-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonyl]amino]acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, (2S,5R,6R)-6-{[1-Hydroxy-2-({hydroxy[2-(4-methylpiperazin-1-yl)-5-oxo-1,5-dihydropyrido[2,3-d]pyrimidin-6-yl]methylidene}amino)-2-(4-hydroxyphenyl)ethylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-{[1-Hydroxy-2-({hydroxy[2-(4-methylpiperazin-1-yl)-5-oxo-1,5-dihydropyrido[2,3-d]pyrimidin-6-yl]methylidene}amino)-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 | C29H32N8O7S |
| Molecular Weight | 636.2115 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 223.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 636.2115 Da |
| Heavy Atoms | 45 |
| Complexity | 1260.0 |
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=C(C=C3)O)NC(=O)C4=CNC5=NC(=NC=C5C4=O)N6CCN(CC6)C)C(=O)O)C |
| InChIKey | NKCANKJXLFZTGM-JHGBVSNDSA-N |
Chemical Property Profile of RefChem:296489
Property Insights of RefChem:296489
The XLogP value of -0.8 indicates that RefChem:296489 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:296489 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:296489 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:296489?
The CAS number of RefChem:296489 is 114082-57-4.
What is the molecular formula of RefChem:296489?
The molecular formula of RefChem:296489 is C29H32N8O7S.
What is the molecular weight of RefChem:296489?
The molecular weight of RefChem:296489 is 636.2115 g/mol.
Where can I buy RefChem:296489?
You can request a quote for RefChem:296489 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:296489?
Yes, CoreyChem provides custom synthesis services for RefChem:296489 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.