N-Propionylampicillin
TL;DR: N-Propionylampicillin (CAS 74226-27-0) is a chemical compound with molecular formula C19H23N3O5S and molecular weight 405.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[2-phenyl-2-(propanoylamino)acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: N-Propionylampicillin, 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 3,3-dimethyl-7-oxo-6-[[[(1-oxopropyl)amino]phenylacetyl]amino]-, [2S-(2a,5a,6b)]- (9CI), (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[2-phenyl-2-(propanoylamino)acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, (2S,5R,6R)-6-({1-Hydroxy-2-[(1-hydroxypropylidene)amino]-2-phenylethylidene}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-({1-Hydroxy-2-[(1-hydroxypropylidene)amino]-2-phenylethylidene}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
| Molecular Formula | C19H23N3O5S |
|---|---|
| Molecular Weight | 405.14 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.13583 |
| Heavy Atoms | 28 |
| Complexity | 676.0 |
Chemical Identifiers
| CAS Number | 74226-27-0 |
|---|---|
| SMILES | CCC(=O)NC(C1=CC=CC=C1)C(=O)N[C@H]2[C@@H]3N(C2=O)[C@H](C(S3)(C)C)C(=O)O |
| InChIKey | NHCFJUVZVWVWQZ-DSZSVDOYSA-N |
Product Overview
N-Propionylampicillin (CAS 74226-27-0), with molecular formula C19H23N3O5S and molecular weight 405.14 g/mol. IUPAC: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[2-phenyl-2-(propanoylamino)acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of N-Propionylampicillin
Property Insights of N-Propionylampicillin
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Propionylampicillin. The TPSA of 141.0 Ų indicates high polarity, suggesting N-Propionylampicillin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Propionylampicillin has 3 hydrogen bond donor(s) and 6 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 N-Propionylampicillin?
The CAS number of N-Propionylampicillin is 74226-27-0.
What is the molecular formula of N-Propionylampicillin?
The molecular formula of N-Propionylampicillin is C19H23N3O5S.
What is the molecular weight of N-Propionylampicillin?
The molecular weight of N-Propionylampicillin is 405.14 g/mol.
Where can I buy N-Propionylampicillin?
You can request a quote for N-Propionylampicillin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Propionylampicillin?
Yes, KEHONG BIO provides custom synthesis services for N-Propionylampicillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.