pyrimidine penicillin G
TL;DR: pyrimidine penicillin G (CAS 59413-33-1) is a chemical compound with molecular formula C20H22N4O4S and molecular weight 414.14 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-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;pyrimidine
Also Known As: Pyrimidine penicillin G, BENZYLPENICILLIN AMINOMETHOMIDINE [WHO-DD], 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-(2S-(2alpha,5alpha,6beta))-, compd. with pyrimidine, (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;pyrimidine, (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid--pyrimidine (1/1)
| Molecular Formula | C20H22N4O4S |
|---|---|
| Molecular Weight | 414.14 g/mol |
| LogP | 1.3374 |
| Topological Polar Surface Area | 112.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.13617 |
| Heavy Atoms | 29 |
| Complexity | 851.8564 |
Chemical Identifiers
| CAS Number | 59413-33-1 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.C1=CN=CN=C1 |
Product Overview
pyrimidine penicillin G (CAS 59413-33-1), with molecular formula C20H22N4O4S and molecular weight 414.14 g/mol. IUPAC: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;pyrimidine.
Chemical Property Profile of pyrimidine penicillin G
Property Insights of pyrimidine penicillin G
The XLogP value of 1.3374 suggests moderate lipophilicity, balancing water solubility and membrane permeability for pyrimidine penicillin G. The TPSA of 112.49 Ų falls within the moderate polarity range, balancing permeability and solubility for pyrimidine penicillin G. Following Lipinski's Rule of Five, pyrimidine penicillin G has 2 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 pyrimidine penicillin G?
The CAS number of pyrimidine penicillin G is 59413-33-1.
What is the molecular formula of pyrimidine penicillin G?
The molecular formula of pyrimidine penicillin G is C20H22N4O4S.
What is the molecular weight of pyrimidine penicillin G?
The molecular weight of pyrimidine penicillin G is 414.14 g/mol.
Where can I buy pyrimidine penicillin G?
You can request a quote for pyrimidine penicillin G directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for pyrimidine penicillin G?
Yes, KEHONG BIO provides custom synthesis services for pyrimidine penicillin G and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.