Procaine penicillin G
TL;DR: Procaine penicillin G (CAS 1110-47-0) is a chemical compound with molecular formula C29H38N4O6S and molecular weight 570.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 4-aminobenzoate;3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: Procaine penicillin G, Benzylpenicillin procaine, Procaine Benzylpenicillin, PENICILLIN G PROCAINE, Penicillin Procaine Anhydrous
| Molecular Formula | C29H38N4O6S |
|---|---|
| Molecular Weight | 570.25 g/mol |
| LogP | 2.6282 |
| Topological Polar Surface Area | 168.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 570.2512 |
| Heavy Atoms | 40 |
| Complexity | 752.0 |
Chemical Identifiers
| CAS Number | 1110-47-0 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C |
| InChIKey | WHRVRSCEWKLAHX-UHFFFAOYSA-N |
Product Overview
Procaine penicillin G (CAS 1110-47-0), with molecular formula C29H38N4O6S and molecular weight 570.25 g/mol. IUPAC: 2-(diethylamino)ethyl 4-aminobenzoate;3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of Procaine penicillin G
Property Insights of Procaine penicillin G
The XLogP value of 2.6282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Procaine penicillin G. The TPSA of 168.0 Ų indicates high polarity, suggesting Procaine penicillin G may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Procaine penicillin G has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Procaine penicillin G?
The CAS number of Procaine penicillin G is 1110-47-0.
What is the molecular formula of Procaine penicillin G?
The molecular formula of Procaine penicillin G is C29H38N4O6S.
What is the molecular weight of Procaine penicillin G?
The molecular weight of Procaine penicillin G is 570.25 g/mol.
Where can I buy Procaine penicillin G?
You can request a quote for Procaine penicillin G directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Procaine penicillin G?
Yes, KEHONG BIO provides custom synthesis services for Procaine penicillin G and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.