Methylene-6-(3-formylallylidene)penicillanate pivalate
TL;DR: Methylene-6-(3-formylallylidene)penicillanate pivalate (CAS 142449-95-4) is a chemical compound with molecular formula C18H23NO6S and molecular weight 381.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylpropanoyloxymethyl (2S,5R,6Z)-3,3-dimethyl-7-oxo-6-[(E)-4-oxobut-2-enylidene]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Also Known As: MFAPP, Methylene-6-(3-formylallylidene)penicillanate pivalate, (2,2-Dimethyl-1-oxopropoxy)methyl 3,3-dimethyl-7-oxo-6-(4-oxo-2-butenylidene)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate (2S-(2alpha,5alpha,6Z(Z)))-, (2S-(2alpha,5alpha,6Z(Z)))-(2,2-Dimethyl-1-oxopropoxy)methyl 3,3-dimethyl-7-oxo-6-(4-oxo-2-butenylidene)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate, 2,2-dimethylpropanoyloxymethyl (2S,5R,6Z)-3,3-dimethyl-7-oxo-6-[(E)-4-oxobut-2-enylidene]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
| Molecular Formula | C18H23NO6S |
|---|---|
| Molecular Weight | 381.12 g/mol |
| LogP | 1.8202 |
| Topological Polar Surface Area | 89.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.1246 |
| Heavy Atoms | 26 |
| Complexity | 688.2851 |
Chemical Identifiers
| CAS Number | 142449-95-4 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)/C(=C\C=C\C=O)/C2=O)C(=O)OCOC(=O)C(C)(C)C)C |
Product Overview
Methylene-6-(3-formylallylidene)penicillanate pivalate (CAS 142449-95-4), with molecular formula C18H23NO6S and molecular weight 381.12 g/mol. IUPAC: 2,2-dimethylpropanoyloxymethyl (2S,5R,6Z)-3,3-dimethyl-7-oxo-6-[(E)-4-oxobut-2-enylidene]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate.
Chemical Property Profile of Methylene-6-(3-formylallylidene)penicillanate pivalate
Property Insights of Methylene-6-(3-formylallylidene)penicillanate pivalate
The XLogP value of 1.8202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylene-6-(3-formylallylidene)penicillanate pivalate. The TPSA of 89.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Methylene-6-(3-formylallylidene)penicillanate pivalate. Following Lipinski's Rule of Five, Methylene-6-(3-formylallylidene)penicillanate pivalate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methylene-6-(3-formylallylidene)penicillanate pivalate?
The CAS number of Methylene-6-(3-formylallylidene)penicillanate pivalate is 142449-95-4.
What is the molecular formula of Methylene-6-(3-formylallylidene)penicillanate pivalate?
The molecular formula of Methylene-6-(3-formylallylidene)penicillanate pivalate is C18H23NO6S.
What is the molecular weight of Methylene-6-(3-formylallylidene)penicillanate pivalate?
The molecular weight of Methylene-6-(3-formylallylidene)penicillanate pivalate is 381.12 g/mol.
Where can I buy Methylene-6-(3-formylallylidene)penicillanate pivalate?
You can request a quote for Methylene-6-(3-formylallylidene)penicillanate pivalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylene-6-(3-formylallylidene)penicillanate pivalate?
Yes, KEHONG BIO provides custom synthesis services for Methylene-6-(3-formylallylidene)penicillanate pivalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.