Pivampicillin Probenate
TL;DR: Pivampicillin Probenate (CAS 42190-91-0) is a chemical compound with molecular formula C35H48N4O10S2 and molecular weight 748.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylpropanoyloxymethyl (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;4-(dipropylsulfamoyl)benzoic acid
Also Known As: Pivampicillin probenate, Pivampicillin probenate [USAN], Pivampicillin probenate (USAN), MK 356, 2,2-dimethylpropanoyloxymethyl (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;4-(dipropylsulfamoyl)benzoic acid
| Molecular Formula | C35H48N4O10S2 |
|---|---|
| Molecular Weight | 748.28 g/mol |
| LogP | 3.52 |
| Topological Polar Surface Area | 236.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 16 |
| Exact Mass | 748.2812 |
| Heavy Atoms | 51 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 42190-91-0 |
|---|---|
| SMILES | CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)OCOC(=O)C(C)(C)C)C |
| InChIKey | LKZFWYIOFQDUMO-GLCLSGQWSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pivampicillin Probenate (CAS 42190-91-0), with molecular formula C35H48N4O10S2 and molecular weight 748.28 g/mol. IUPAC: 2,2-dimethylpropanoyloxymethyl (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;4-(dipropylsulfamoyl)benzoic acid.
Chemical Property Profile of Pivampicillin Probenate
Property Insights of Pivampicillin Probenate
The XLogP value of 3.52 indicates that Pivampicillin Probenate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 236.0 Ų indicates high polarity, suggesting Pivampicillin Probenate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pivampicillin Probenate has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pivampicillin Probenate?
The CAS number of Pivampicillin Probenate is 42190-91-0.
What is the molecular formula of Pivampicillin Probenate?
The molecular formula of Pivampicillin Probenate is C35H48N4O10S2.
What is the molecular weight of Pivampicillin Probenate?
The molecular weight of Pivampicillin Probenate is 748.28 g/mol.
Where can I buy Pivampicillin Probenate?
You can request a quote for Pivampicillin Probenate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pivampicillin Probenate?
Yes, KEHONG BIO provides custom synthesis services for Pivampicillin Probenate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.