PD 118057
TL;DR: PD 118057 (CAS 313674-97-4) is a chemical compound with molecular formula C21H17Cl2NO2 and molecular weight 385.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[2-(3,4-dichlorophenyl)ethyl]anilino]benzoic acid
Also Known As: PD 118057, P5624_SIGMA, 2-[[4-[2-(3,4-Dichlorophenyl)ethyl]phenyl]amino]benzoic acid, EX-A14633, 2-((4-(3,4-dichlorophenethyl)phenyl)amino)benzoic acid
| Molecular Formula | C21H17Cl2NO2 |
|---|---|
| Molecular Weight | 385.06 g/mol |
| LogP | 6.2204 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.06363 |
| Heavy Atoms | 26 |
| Complexity | 923.54913 |
Chemical Identifiers
| CAS Number | 313674-97-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC2=CC=C(C=C2)CCC3=CC(=C(C=C3)Cl)Cl |
Product Overview
PD 118057 (CAS 313674-97-4), with molecular formula C21H17Cl2NO2 and molecular weight 385.06 g/mol. IUPAC: 2-[4-[2-(3,4-dichlorophenyl)ethyl]anilino]benzoic acid.
Chemical Property Profile of PD 118057
Property Insights of PD 118057
The XLogP value of 6.2204 indicates that PD 118057 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.33 Ų, PD 118057 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, PD 118057 has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of PD 118057?
The CAS number of PD 118057 is 313674-97-4.
What is the molecular formula of PD 118057?
The molecular formula of PD 118057 is C21H17Cl2NO2.
What is the molecular weight of PD 118057?
The molecular weight of PD 118057 is 385.06 g/mol.
Where can I buy PD 118057?
You can request a quote for PD 118057 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PD 118057?
Yes, KEHONG BIO provides custom synthesis services for PD 118057 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.