Cemandil
TL;DR: Cemandil (CAS 42540-40-9) is a chemical compound with molecular formula C19H18N6O6S2 and molecular weight 490.07294 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-[(2-formyloxy-2-phenylacetyl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Mandol, Cemandil, cefamandole, cefamandole nafate, Spectrum2_001463
Technical Specifications
| Molecular Formula | C19H18N6O6S2 |
| Molecular Weight | 490.07294 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 207.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 490.07294 Da |
| Heavy Atoms | 33 |
| Complexity | 838.0 |
| SMILES | CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(C4=CC=CC=C4)OC=O)SC2)C(=O)O |
| InChIKey | RRJHESVQVSRQEX-UHFFFAOYSA-N |
Product Description
Applications: Cemandil is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Cemandil (CAS 42540-40-9) is a fine chemical with the molecular formula C19H18N6O6S2 and a molecular weight of 490.07 g/mol. Synonyms include Mandol and Cemandil.
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 Cemandil
Property Insights of Cemandil
The XLogP value of -0.3 indicates that Cemandil is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 207.0 Ų indicates high polarity, suggesting Cemandil may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cemandil has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Cemandil?
The CAS number of Cemandil is 42540-40-9.
What is the molecular formula of Cemandil?
The molecular formula of Cemandil is C19H18N6O6S2.
What is the molecular weight of Cemandil?
The molecular weight of Cemandil is 490.07294 g/mol.
What are the applications of Cemandil?
Cemandil is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Where can I buy Cemandil?
You can request a quote for Cemandil directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cemandil?
Yes, CoreyChem provides custom synthesis services for Cemandil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.