海他西林
TL;DR: 海他西林 (CAS 3511-16-8) is a chemical compound with molecular formula C19H23N3O4S and molecular weight 389.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
海他西林
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
| Molecular Formula | C19H23N3O4S |
|---|---|
| Molecular Weight | 389.14 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 389.14093 |
| Heavy Atoms | 27 |
| Complexity | 688.0 |
Chemical Identifiers
| CAS Number | 3511-16-8 |
|---|---|
| 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 |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
海他西林 (CAS 3511-16-8), with molecular formula C19H23N3O4S and molecular weight 389.14 g/mol. IUPAC: 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.
Chemical Property Profile of 海他西林
Property Insights of 海他西林
The XLogP value of -0.6 indicates that 海他西林 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 海他西林. Following Lipinski's Rule of Five, 海他西林 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
Frequently Asked Questions
What is the CAS number of 海他西林?
The CAS number of 海他西林 is 3511-16-8.
What is the molecular formula of 海他西林?
The molecular formula of 海他西林 is C19H23N3O4S.
What is the molecular weight of 海他西林?
The molecular weight of 海他西林 is 389.14 g/mol.
Where can I buy 海他西林?
You can request a quote for 海他西林 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 海他西林?
Yes, KEHONG BIO provides custom synthesis services for 海他西林 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.