氨苄西林
TL;DR: 氨苄西林 (CAS 69-53-4) is a chemical compound with molecular formula C16H19N3O4S and molecular weight 349.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氨苄西林
6-[(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: ampicillin, Alpen, Ampicillin acid, Aminobenzylpenicillin, Amplacilina
| Molecular Formula | C16H19N3O4S |
|---|---|
| Molecular Weight | 349.11 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.10962 |
| Heavy Atoms | 24 |
| Complexity | 562.0 |
Chemical Identifiers
| CAS Number | 69-53-4 |
|---|---|
| SMILES | CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C |
| InChIKey | AVKUERGKIZMTKX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氨苄西林 (CAS 69-53-4), with molecular formula C16H19N3O4S and molecular weight 349.11 g/mol. IUPAC: 6-[(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of 氨苄西林
Property Insights of 氨苄西林
The XLogP value of -1.1 indicates that 氨苄西林 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 氨苄西林. Following Lipinski's Rule of Five, 氨苄西林 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 氨苄西林?
The CAS number of 氨苄西林 is 69-53-4.
What is the molecular formula of 氨苄西林?
The molecular formula of 氨苄西林 is C16H19N3O4S.
What is the molecular weight of 氨苄西林?
The molecular weight of 氨苄西林 is 349.11 g/mol.
Where can I buy 氨苄西林?
You can request a quote for 氨苄西林 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氨苄西林?
Yes, KEHONG BIO provides custom synthesis services for 氨苄西林 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.