Phenyracillin
TL;DR: Phenyracillin (CAS 7009-88-3) is a chemical compound with molecular formula C48H54N6O8S2 and molecular weight 906.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid);2,5-diphenylpiperazine
Also Known As: Phenyracillin, Penirazine, Alfadryl, Phenyracillinum, Feniracilina
| Molecular Formula | C48H54N6O8S2 |
|---|---|
| Molecular Weight | 906.34 g/mol |
| LogP | 4.38 |
| Topological Polar Surface Area | 248.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 906.3445 |
| Heavy Atoms | 64 |
| Complexity | 746.0 |
Chemical Identifiers
| CAS Number | 7009-88-3 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.C1C(NCC(N1)C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | IAKOCPCZBRUQBM-ANPZCEIESA-N |
Product Overview
Phenyracillin (CAS 7009-88-3), with molecular formula C48H54N6O8S2 and molecular weight 906.34 g/mol. IUPAC: bis((2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid);2,5-diphenylpiperazine.
Chemical Property Profile of Phenyracillin
Property Insights of Phenyracillin
The XLogP value of 4.38 indicates that Phenyracillin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 248.0 Ų indicates high polarity, suggesting Phenyracillin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phenyracillin has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenyracillin?
The CAS number of Phenyracillin is 7009-88-3.
What is the molecular formula of Phenyracillin?
The molecular formula of Phenyracillin is C48H54N6O8S2.
What is the molecular weight of Phenyracillin?
The molecular weight of Phenyracillin is 906.34 g/mol.
Where can I buy Phenyracillin?
You can request a quote for Phenyracillin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyracillin?
Yes, KEHONG BIO provides custom synthesis services for Phenyracillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.