RefChem:296492
TL;DR: RefChem:296492 (CAS 114094-27-8) is a chemical compound with molecular formula C31H34N8O8S and molecular weight 678.22205 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-[[5-oxo-2-(4-propanoylpiperazin-1-yl)-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-5-oxo-2-(4-(1-oxopropyl)-1-piperazinyl)pyrido(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 (1:3), (2S,5R,6R)-6-[[2-(4-hydroxyphenyl)-2-[[5-oxo-2-(4-propanoylpiperazin-1-yl)-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[5-oxo-2-(4-propanoylpiperazin-1-yl)-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[5-oxo-2-(4-propanoylpiperazin-1-yl)-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 | C31H34N8O8S |
| Molecular Weight | 678.22205 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 240.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 678.22205 Da |
| Heavy Atoms | 48 |
| Complexity | 1380.0 |
| SMILES | CCC(=O)N1CCN(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 | HBBJDTYURDETBU-RIXUWUERSA-N |
Chemical Property Profile of RefChem:296492
Property Insights of RefChem:296492
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:296492. The TPSA of 240.0 Ų indicates high polarity, suggesting RefChem:296492 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:296492 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:296492?
The CAS number of RefChem:296492 is 114094-27-8.
What is the molecular formula of RefChem:296492?
The molecular formula of RefChem:296492 is C31H34N8O8S.
What is the molecular weight of RefChem:296492?
The molecular weight of RefChem:296492 is 678.22205 g/mol.
Where can I buy RefChem:296492?
You can request a quote for RefChem:296492 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:296492?
Yes, CoreyChem provides custom synthesis services for RefChem:296492 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.