hetacillin
TL;DR: hetacillin (CAS 3511-16-8) is a chemical compound with molecular formula C19H23N3O4S and molecular weight 389.14093 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: hetacillin, 6-(2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, (2S,5R,6R)-6-[(4R)-2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid,6-[(4R)-2,2-dimethyl-5-oxo-4-phenyl-1-imidazolidinyl]-3,3-dimethyl-7-oxo-,(2S,5R,6R)-, 3,3-Dimethyl-6-oxo-7-(2,2-dimethyl-4-oxo-5-phenyl-3-imidazolidinyl)-2-thia-5-azabicyclo[3.2.0]heptane-4-carboxylic acid
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C19H23N3O4S |
| Molecular Weight | 389.14093 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 389.14093 Da |
| Heavy Atoms | 27 |
| Complexity | 688.0 |
| SMILES | CC1(C(N2C(S1)C(C2=O)N3C(=O)C(NC3(C)C)C4=CC=CC=C4)C(=O)O)C |
| InChIKey | DXVUYOAEDJXBPY-UHFFFAOYSA-N |
Product Description
Applications: hetacillin is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. 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).
A pharmaceutical intermediate supplied by CoreyChem, hetacillin (CAS 3511-16-8) has the molecular formula C19H23N3O4S and a molecular weight of 389.14 g/mol. Synonyms include hetacillin and 6-(2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
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 hetacillin
Property Insights of hetacillin
The XLogP value of -0.6 indicates that hetacillin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for hetacillin. Following Lipinski's Rule of Five, hetacillin has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of hetacillin?
The CAS number of hetacillin is 3511-16-8.
What is the molecular formula of hetacillin?
The molecular formula of hetacillin is C19H23N3O4S.
What is the molecular weight of hetacillin?
The molecular weight of hetacillin is 389.14093 g/mol.
What are the applications of hetacillin?
hetacillin is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy hetacillin?
You can request a quote for hetacillin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for hetacillin?
Yes, CoreyChem provides custom synthesis services for hetacillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.