Penicilloate
TL;DR: Penicilloate (CAS 13057-98-2) is a chemical compound with molecular formula C16H20N2O5S and molecular weight 352.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[carboxy-[(2-phenylacetyl)amino]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Also Known As: Benzylpenicilloic acid, Penicilloate, Penicilloic acid, Penicillosaure, Pencilloic G acid
| Molecular Formula | C16H20N2O5S |
|---|---|
| Molecular Weight | 352.11 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 352.10928 |
| Heavy Atoms | 24 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 13057-98-2 |
|---|---|
| SMILES | CC1(C(NC(S1)C(C(=O)O)NC(=O)CC2=CC=CC=C2)C(=O)O)C |
| InChIKey | HCYWNSXLUZRKJX-UHFFFAOYSA-N |
Product Overview
Penicilloate (CAS 13057-98-2), with molecular formula C16H20N2O5S and molecular weight 352.11 g/mol. IUPAC: 2-[carboxy-[(2-phenylacetyl)amino]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.
Chemical Property Profile of Penicilloate
Property Insights of Penicilloate
The XLogP value of -1.1 indicates that Penicilloate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 141.0 Ų indicates high polarity, suggesting Penicilloate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Penicilloate has 4 hydrogen bond donor(s) and 7 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 Penicilloate?
The CAS number of Penicilloate is 13057-98-2.
What is the molecular formula of Penicilloate?
The molecular formula of Penicilloate is C16H20N2O5S.
What is the molecular weight of Penicilloate?
The molecular weight of Penicilloate is 352.11 g/mol.
Where can I buy Penicilloate?
You can request a quote for Penicilloate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Penicilloate?
Yes, KEHONG BIO provides custom synthesis services for Penicilloate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.