PENICILLIN G PROCAINE
TL;DR: PENICILLIN G PROCAINE (CAS 6130-64-9) is a chemical compound with molecular formula C29H40N4O7S and molecular weight 588.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 4-aminobenzoate;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydrate
Also Known As: PENICILLIN G PROCAINE, Crysticillin, Abbocillin, Duracillin, Procaine penicillin
| Molecular Formula | C29H40N4O7S |
|---|---|
| Molecular Weight | 588.26 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 588.2618 |
| Heavy Atoms | 41 |
| Complexity | 752.0 |
Chemical Identifiers
| CAS Number | 6130-64-9 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.O |
| InChIKey | KZDCMKVLEYCGQX-UDPGNSCCSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
PENICILLIN G PROCAINE (CAS 6130-64-9), with molecular formula C29H40N4O7S and molecular weight 588.26 g/mol. IUPAC: 2-(diethylamino)ethyl 4-aminobenzoate;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydrate.
Chemical Property Profile of PENICILLIN G PROCAINE
Property Insights of PENICILLIN G PROCAINE
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PENICILLIN G PROCAINE. The TPSA of 169.0 Ų indicates high polarity, suggesting PENICILLIN G PROCAINE may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, PENICILLIN G PROCAINE has 4 hydrogen bond donor(s) and 10 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 PROCAINE?
The CAS number of PENICILLIN G PROCAINE is 6130-64-9.
What is the molecular formula of PENICILLIN G PROCAINE?
The molecular formula of PENICILLIN G PROCAINE is C29H40N4O7S.
What is the molecular weight of PENICILLIN G PROCAINE?
The molecular weight of PENICILLIN G PROCAINE is 588.26 g/mol.
Where can I buy PENICILLIN G PROCAINE?
You can request a quote for PENICILLIN G PROCAINE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PENICILLIN G PROCAINE?
Yes, KEHONG BIO provides custom synthesis services for PENICILLIN G PROCAINE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.