Penicillin G potassium salt
TL;DR: Penicillin G potassium salt (CAS 113-98-4) is a chemical compound with molecular formula C33H36ClKN4O4S2 and molecular weight 690.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
potassium;3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Also Known As: Penicillin G potassium salt, Chlorpromazine & Penicillin-G, POTASSIUM BENZYLPENICILLIN(1-) CHLORPROMAZINE, 3-(2-chlorophenothiazin-10-yl)-N,N-dimethyl-propan-1-amine; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, potassium; 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
| Molecular Formula | C33H36ClKN4O4S2 |
|---|---|
| Molecular Weight | 690.15 g/mol |
| LogP | 1.4245 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 690.1503 |
| Heavy Atoms | 45 |
| Complexity | 875.0 |
Chemical Identifiers
| CAS Number | 113-98-4 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)[O-])C.CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.[K+] |
| InChIKey | HTQQVOYPSGNVPA-HBRCYENSSA-M |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Penicillin G potassium salt (CAS 113-98-4), with molecular formula C33H36ClKN4O4S2 and molecular weight 690.15 g/mol. IUPAC: potassium;3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate.
Chemical Property Profile of Penicillin G potassium salt
Property Insights of Penicillin G potassium salt
The XLogP value of 1.4245 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Penicillin G potassium salt. The TPSA of 147.0 Ų indicates high polarity, suggesting Penicillin G potassium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Penicillin G potassium salt has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Penicillin G potassium salt?
The CAS number of Penicillin G potassium salt is 113-98-4.
What is the molecular formula of Penicillin G potassium salt?
The molecular formula of Penicillin G potassium salt is C33H36ClKN4O4S2.
What is the molecular weight of Penicillin G potassium salt?
The molecular weight of Penicillin G potassium salt is 690.15 g/mol.
Where can I buy Penicillin G potassium salt?
You can request a quote for Penicillin G potassium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Penicillin G potassium salt?
Yes, KEHONG BIO provides custom synthesis services for Penicillin G potassium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.