Epitope ID:116055
TL;DR: Epitope ID:116055 (CAS 123314-55-6) is a chemical compound with molecular formula C16H20N2O6S and molecular weight 368.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4S)-2-[(R)-carboxy-[(2-phenoxyacetyl)amino]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Also Known As: Epitope ID:116055, Phenoxymethylpenicilloic acid, phenoxymethylpenicilloyl group, J1.921.416H, (2R,4S)-5,5-dimethyl-2-[(1R)-2-oxidanyl-2-oxidanylidene-1-(2-phenoxyethanoylamino)ethyl]-1,3-thiazolidine-4-carboxylic acid
| Molecular Formula | C16H20N2O6S |
|---|---|
| Molecular Weight | 368.10 g/mol |
| LogP | 0.5291 |
| Topological Polar Surface Area | 124.96 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 368.10422 |
| Heavy Atoms | 25 |
| Complexity | 651.28485 |
Chemical Identifiers
| CAS Number | 123314-55-6 |
|---|---|
| SMILES | CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)COC2=CC=CC=C2)C(=O)O)C |
Product Overview
Epitope ID:116055 (CAS 123314-55-6), with molecular formula C16H20N2O6S and molecular weight 368.10 g/mol. IUPAC: (2R,4S)-2-[(R)-carboxy-[(2-phenoxyacetyl)amino]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.
Chemical Property Profile of Epitope ID:116055
Property Insights of Epitope ID:116055
The XLogP value of 0.5291 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Epitope ID:116055. The TPSA of 124.96 Ų falls within the moderate polarity range, balancing permeability and solubility for Epitope ID:116055. Following Lipinski's Rule of Five, Epitope ID:116055 has 4 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 Epitope ID:116055?
The CAS number of Epitope ID:116055 is 123314-55-6.
What is the molecular formula of Epitope ID:116055?
The molecular formula of Epitope ID:116055 is C16H20N2O6S.
What is the molecular weight of Epitope ID:116055?
The molecular weight of Epitope ID:116055 is 368.10 g/mol.
Where can I buy Epitope ID:116055?
You can request a quote for Epitope ID:116055 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Epitope ID:116055?
Yes, KEHONG BIO provides custom synthesis services for Epitope ID:116055 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.