RefChem:1097458
TL;DR: RefChem:1097458 (CAS 134481-45-1) is a chemical compound with molecular formula C20H21N7O5S3 and molecular weight 535.07666 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6S,7S)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[1-(methylamino)pyridin-1-ium-4-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: Pyridinium, 4-(((7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)thio)-1-(methylamino)-, inner salt, (6R-(6-alpha,7-beta(Z)))-
Technical Specifications
| Molecular Formula | C20H21N7O5S3 |
| Molecular Weight | 535.07666 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 245.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 535.07666 Da |
| Heavy Atoms | 35 |
| Complexity | 906.0 |
| SMILES | CN[N+]1=CC=C(C=C1)SCC2=C(N3[C@H]([C@H](C3=O)NC(=O)/C(=N/OC)/C4=CSC(=N4)N)SC2)C(=O)[O-] |
| InChIKey | YGZBICVUJJAZOG-MQMOSTEBSA-N |
Chemical Property Profile of RefChem:1097458
Property Insights of RefChem:1097458
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1097458. The TPSA of 245.0 Ų indicates high polarity, suggesting RefChem:1097458 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1097458 has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1097458?
The CAS number of RefChem:1097458 is 134481-45-1.
What is the molecular formula of RefChem:1097458?
The molecular formula of RefChem:1097458 is C20H21N7O5S3.
What is the molecular weight of RefChem:1097458?
The molecular weight of RefChem:1097458 is 535.07666 g/mol.
Where can I buy RefChem:1097458?
You can request a quote for RefChem:1097458 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1097458?
Yes, CoreyChem provides custom synthesis services for RefChem:1097458 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.