Phelorphan
TL;DR: Phelorphan (CAS 122841-09-2) is a chemical compound with molecular formula C20H22N2O4S and molecular weight 386.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-[(2-sulfanylacetyl)amino]propanoyl]amino]propanoic acid
Also Known As: Phelorphan, 2-Mercaptoacetyl-phenylalanylphenylalanine, Mercaptoacetyl-L-Phe-L-Phe-OH, 2-Mercaptoacetyl-L-phenylalanyl-L-phenylalanine, (2-mercaptoacetyl)-L-phenylalanyl-L-phenylalanine
| Molecular Formula | C20H22N2O4S |
|---|---|
| Molecular Weight | 386.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 96.5 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 386.13004 |
| Heavy Atoms | 27 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 122841-09-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)NC(=O)CS |
| InChIKey | DPRJEBOTAKMRQV-IRXDYDNUSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phelorphan (CAS 122841-09-2), with molecular formula C20H22N2O4S and molecular weight 386.13 g/mol. IUPAC: (2S)-3-phenyl-2-[[(2S)-3-phenyl-2-[(2-sulfanylacetyl)amino]propanoyl]amino]propanoic acid.
Chemical Property Profile of Phelorphan
Property Insights of Phelorphan
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phelorphan. The TPSA of 96.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Phelorphan. Following Lipinski's Rule of Five, Phelorphan has 4 hydrogen bond donor(s) and 5 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 Phelorphan?
The CAS number of Phelorphan is 122841-09-2.
What is the molecular formula of Phelorphan?
The molecular formula of Phelorphan is C20H22N2O4S.
What is the molecular weight of Phelorphan?
The molecular weight of Phelorphan is 386.13 g/mol.
Where can I buy Phelorphan?
You can request a quote for Phelorphan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phelorphan?
Yes, KEHONG BIO provides custom synthesis services for Phelorphan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.