Pafencil
TL;DR: Pafencil (CAS 53498-76-3) is a chemical compound with molecular formula C19H20Cl2N2O3 and molecular weight 394.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]benzoic acid
Also Known As: Pafencil, Paphencil, Paphencyl, 4-Di(2-chloroethyl)aminophenacetyl-4-aminobenzoic acid, 4-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]benzoic acid
| Molecular Formula | C19H20Cl2N2O3 |
|---|---|
| Molecular Weight | 394.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 394.08508 |
| Heavy Atoms | 26 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 53498-76-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(=O)NC2=CC=C(C=C2)C(=O)O)N(CCCl)CCCl |
| InChIKey | WAFSPMOKDIXHAB-UHFFFAOYSA-N |
Product Overview
Pafencil (CAS 53498-76-3), with molecular formula C19H20Cl2N2O3 and molecular weight 394.09 g/mol. IUPAC: 4-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]benzoic acid.
Chemical Property Profile of Pafencil
Property Insights of Pafencil
The XLogP value of 3.5 indicates that Pafencil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Pafencil. Following Lipinski's Rule of Five, Pafencil has 2 hydrogen bond donor(s) and 4 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 Pafencil?
The CAS number of Pafencil is 53498-76-3.
What is the molecular formula of Pafencil?
The molecular formula of Pafencil is C19H20Cl2N2O3.
What is the molecular weight of Pafencil?
The molecular weight of Pafencil is 394.09 g/mol.
Where can I buy Pafencil?
You can request a quote for Pafencil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pafencil?
Yes, KEHONG BIO provides custom synthesis services for Pafencil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.