2,4-Dinitrophenoxymethylpenicillin
TL;DR: 2,4-Dinitrophenoxymethylpenicillin (CAS 36214-20-7) is a chemical compound with molecular formula C16H16N4O9S and molecular weight 440.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[2-(2,4-dinitrophenoxy)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: 2,4-Dinitrophenoxymethylpenicillin, 6-((2-(2,4-Dinitrophenoxy)acetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-[[2-(2,4-dinitrophenoxy)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-{[2-(2,4-Dinitrophenoxy)-1-hydroxyethylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
| Molecular Formula | C16H16N4O9S |
|---|---|
| Molecular Weight | 440.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 213.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.0638 |
| Heavy Atoms | 30 |
| Complexity | 780.0 |
Chemical Identifiers
| CAS Number | 36214-20-7 |
|---|---|
| SMILES | CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)O)C |
| InChIKey | MMJAHCHIWLWIAO-UHFFFAOYSA-N |
Product Overview
2,4-Dinitrophenoxymethylpenicillin (CAS 36214-20-7), with molecular formula C16H16N4O9S and molecular weight 440.06 g/mol. IUPAC: 6-[[2-(2,4-dinitrophenoxy)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of 2,4-Dinitrophenoxymethylpenicillin
Property Insights of 2,4-Dinitrophenoxymethylpenicillin
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dinitrophenoxymethylpenicillin. The TPSA of 213.0 Ų indicates high polarity, suggesting 2,4-Dinitrophenoxymethylpenicillin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4-Dinitrophenoxymethylpenicillin has 2 hydrogen bond donor(s) and 10 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 2,4-Dinitrophenoxymethylpenicillin?
The CAS number of 2,4-Dinitrophenoxymethylpenicillin is 36214-20-7.
What is the molecular formula of 2,4-Dinitrophenoxymethylpenicillin?
The molecular formula of 2,4-Dinitrophenoxymethylpenicillin is C16H16N4O9S.
What is the molecular weight of 2,4-Dinitrophenoxymethylpenicillin?
The molecular weight of 2,4-Dinitrophenoxymethylpenicillin is 440.06 g/mol.
Where can I buy 2,4-Dinitrophenoxymethylpenicillin?
You can request a quote for 2,4-Dinitrophenoxymethylpenicillin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dinitrophenoxymethylpenicillin?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dinitrophenoxymethylpenicillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.