Jenicillin A
TL;DR: Jenicillin A (CAS 57607-41-7) is a chemical compound with molecular formula C45H56N6O10S2 and molecular weight 904.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 4-aminobenzoate;bis((2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid)
Also Known As: Jenicillin A, Penicillin G - penicillin G procaine, Penicillin G mixture with penicillin G procaine, Penicillin G, penicillin G procaine drug combination, 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
| Molecular Formula | C45H56N6O10S2 |
|---|---|
| Molecular Weight | 904.35 g/mol |
| LogP | 3.489 |
| Topological Polar Surface Area | 228.98 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 14 |
| Exact Mass | 904.3499 |
| Heavy Atoms | 63 |
| Complexity | 2022.9456 |
Chemical Identifiers
| CAS Number | 57607-41-7 |
|---|---|
| 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.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C |
Product Overview
Jenicillin A (CAS 57607-41-7), with molecular formula C45H56N6O10S2 and molecular weight 904.35 g/mol. IUPAC: 2-(diethylamino)ethyl 4-aminobenzoate;bis((2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid).
Chemical Property Profile of Jenicillin A
Property Insights of Jenicillin A
The XLogP value of 3.489 indicates that Jenicillin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 228.98 Ų indicates high polarity, suggesting Jenicillin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Jenicillin A has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Jenicillin A?
The CAS number of Jenicillin A is 57607-41-7.
What is the molecular formula of Jenicillin A?
The molecular formula of Jenicillin A is C45H56N6O10S2.
What is the molecular weight of Jenicillin A?
The molecular weight of Jenicillin A is 904.35 g/mol.
Where can I buy Jenicillin A?
You can request a quote for Jenicillin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Jenicillin A?
Yes, KEHONG BIO provides custom synthesis services for Jenicillin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.