![{4-[Bis(2-chloroethyl)amino]phenyl}(phenyl)acetic acid structure](/static/products/1533/15330-76-4.webp)
{4-[Bis(2-chloroethyl)amino]phenyl}(phenyl)acetic acid
TL;DR: {4-[Bis(2-chloroethyl)amino]phenyl}(phenyl)acetic acid (CAS 15330-76-4) is a chemical compound with molecular formula C18H19Cl2NO2 and molecular weight 351.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[bis(2-chloroethyl)amino]phenyl]-2-phenylacetic acid
Also Known As: KST-1B0650, {4-[bis(2-chloroethyl)amino]phenyl}(phenyl)acetic acid, 2-[4-[bis(2-chloroethyl)amino]phenyl]-2-phenylacetic acid, 2-[4-[bis(2-chloroethyl)amino]phenyl]-2-phenyl-acetic acid, 2-{4-[bis(2-chloroethyl)amino]phenyl}-2-(4-chlorophenyl)acetamide
| Molecular Formula | C18H19Cl2NO2 |
|---|---|
| Molecular Weight | 351.08 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 351.07928 |
| Heavy Atoms | 23 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 15330-76-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(CCCl)CCCl)C(=O)O |
| InChIKey | USFBFTWFQQNCOJ-UHFFFAOYSA-N |
Product Overview
{4-[Bis(2-chloroethyl)amino]phenyl}(phenyl)acetic acid (CAS 15330-76-4), with molecular formula C18H19Cl2NO2 and molecular weight 351.08 g/mol. IUPAC: 2-[4-[bis(2-chloroethyl)amino]phenyl]-2-phenylacetic acid.
Chemical Property Profile of {4-[Bis(2-chloroethyl)amino]phenyl}(phenyl)acetic acid
Property Insights of {4-[Bis(2-chloroethyl)amino]phenyl}(phenyl)acetic acid
The XLogP value of 4.4 indicates that {4-[Bis(2-chloroethyl)amino]phenyl}(phenyl)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, {4-[Bis(2-chloroethyl)amino]phenyl}(phenyl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, {4-[Bis(2-chloroethyl)amino]phenyl}(phenyl)acetic acid has 1 hydrogen bond donor(s) and 3 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 {4-[Bis(2-chloroethyl)amino]phenyl}(phenyl)acetic acid?
The CAS number of {4-[Bis(2-chloroethyl)amino]phenyl}(phenyl)acetic acid is 15330-76-4.
What is the molecular formula of {4-[Bis(2-chloroethyl)amino]phenyl}(phenyl)acetic acid?
The molecular formula of {4-[Bis(2-chloroethyl)amino]phenyl}(phenyl)acetic acid is C18H19Cl2NO2.
What is the molecular weight of {4-[Bis(2-chloroethyl)amino]phenyl}(phenyl)acetic acid?
The molecular weight of {4-[Bis(2-chloroethyl)amino]phenyl}(phenyl)acetic acid is 351.08 g/mol.
Where can I buy {4-[Bis(2-chloroethyl)amino]phenyl}(phenyl)acetic acid?
You can request a quote for {4-[Bis(2-chloroethyl)amino]phenyl}(phenyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {4-[Bis(2-chloroethyl)amino]phenyl}(phenyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {4-[Bis(2-chloroethyl)amino]phenyl}(phenyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.