CID 5317
TL;DR: CID 5317 (CAS 41744-40-5) is a chemical compound with molecular formula C16H18N2O7S2 and molecular weight 414.05554 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3-dimethyl-7-oxo-6-[(2-phenyl-2-sulfoacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: Sulbenicillin, alpha-sulfobenzylpenicillin, (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(2R)-2-phenyl-2-sulfoacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-Dimethyl-7-oxo-6-(2-phenyl-2-sulfoacetamido)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(2-phenyl-2-sulfoacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Technical Specifications
| Molecular Formula | C16H18N2O7S2 |
| Molecular Weight | 414.05554 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 175.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.05554 Da |
| Heavy Atoms | 27 |
| Complexity | 755.0 |
| SMILES | CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)O)C(=O)O)C |
| InChIKey | JETQIUPBHQNHNZ-UHFFFAOYSA-N |
Product Description
Applications: CID 5317 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).
CID 5317 is a fine chemical identified by CAS number 41744-40-5 and the molecular formula C16H18N2O7S2 and a molecular weight of 414.06 g/mol. Synonyms include Sulbenicillin and alpha-sulfobenzylpenicillin.
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 CID 5317
Property Insights of CID 5317
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CID 5317. The TPSA of 175.0 Ų indicates high polarity, suggesting CID 5317 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CID 5317 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of CID 5317?
The CAS number of CID 5317 is 41744-40-5.
What is the molecular formula of CID 5317?
The molecular formula of CID 5317 is C16H18N2O7S2.
What is the molecular weight of CID 5317?
The molecular weight of CID 5317 is 414.05554 g/mol.
What are the applications of CID 5317?
CID 5317 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 CID 5317?
You can request a quote for CID 5317 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for CID 5317?
Yes, CoreyChem provides custom synthesis services for CID 5317 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.