Phentyrin
TL;DR: Phentyrin (CAS 857-95-4) is a chemical compound with molecular formula C19H22Cl2N2O3 and molecular weight 396.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-[4-[4-[bis(2-chloroethyl)amino]phenoxy]phenyl]propanoic acid
Also Known As: Phentyrin, Fentirin, Fenitirin, 4-(4-Bis(2-chloroethyl)aminophenoxy)phenylalanine, DL-Tyrosine, O-(4-(bis(2-chloroethyl)amino)phenyl)-
| Molecular Formula | C19H22Cl2N2O3 |
|---|---|
| Molecular Weight | 396.10 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 75.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 396.10074 |
| Heavy Atoms | 26 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 857-95-4 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(C(=O)O)N)OC2=CC=C(C=C2)N(CCCl)CCCl |
| InChIKey | IDJLCKJFVNGXOP-UHFFFAOYSA-N |
Product Overview
Phentyrin (CAS 857-95-4), with molecular formula C19H22Cl2N2O3 and molecular weight 396.10 g/mol. IUPAC: 2-amino-3-[4-[4-[bis(2-chloroethyl)amino]phenoxy]phenyl]propanoic acid.
Chemical Property Profile of Phentyrin
Property Insights of Phentyrin
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phentyrin. The TPSA of 75.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Phentyrin. Following Lipinski's Rule of Five, Phentyrin has 2 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 Phentyrin?
The CAS number of Phentyrin is 857-95-4.
What is the molecular formula of Phentyrin?
The molecular formula of Phentyrin is C19H22Cl2N2O3.
What is the molecular weight of Phentyrin?
The molecular weight of Phentyrin is 396.10 g/mol.
Where can I buy Phentyrin?
You can request a quote for Phentyrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phentyrin?
Yes, KEHONG BIO provides custom synthesis services for Phentyrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.