4-N,N-bis(2-chloroethyl)aminophenoxyacetic acid
TL;DR: 4-N,N-bis(2-chloroethyl)aminophenoxyacetic acid (CAS 17528-53-9) is a chemical compound with molecular formula C12H15Cl2NO3 and molecular weight 291.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[bis(2-chloroethyl)amino]phenoxy]acetic acid
Also Known As: 4-NNBCAPA, MP 571, CB 1360, 4-N,N-Bis(2-chloroethyl)aminophenoxyacetic acid, (p-(Bis(2-chloroethyl)amino)phenoxy)acetic acid
| Molecular Formula | C12H15Cl2NO3 |
|---|---|
| Molecular Weight | 291.04 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 291.0429 |
| Heavy Atoms | 18 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 17528-53-9 |
|---|---|
| SMILES | C1=CC(=CC=C1N(CCCl)CCCl)OCC(=O)O |
| InChIKey | IVWVTSYBZDGRSH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-N,N-bis(2-chloroethyl)aminophenoxyacetic acid (CAS 17528-53-9), with molecular formula C12H15Cl2NO3 and molecular weight 291.04 g/mol. IUPAC: 2-[4-[bis(2-chloroethyl)amino]phenoxy]acetic acid.
Chemical Property Profile of 4-N,N-bis(2-chloroethyl)aminophenoxyacetic acid
Property Insights of 4-N,N-bis(2-chloroethyl)aminophenoxyacetic acid
The XLogP value of 3.1 indicates that 4-N,N-bis(2-chloroethyl)aminophenoxyacetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, 4-N,N-bis(2-chloroethyl)aminophenoxyacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-N,N-bis(2-chloroethyl)aminophenoxyacetic acid has 1 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 4-N,N-bis(2-chloroethyl)aminophenoxyacetic acid?
The CAS number of 4-N,N-bis(2-chloroethyl)aminophenoxyacetic acid is 17528-53-9.
What is the molecular formula of 4-N,N-bis(2-chloroethyl)aminophenoxyacetic acid?
The molecular formula of 4-N,N-bis(2-chloroethyl)aminophenoxyacetic acid is C12H15Cl2NO3.
What is the molecular weight of 4-N,N-bis(2-chloroethyl)aminophenoxyacetic acid?
The molecular weight of 4-N,N-bis(2-chloroethyl)aminophenoxyacetic acid is 291.04 g/mol.
Where can I buy 4-N,N-bis(2-chloroethyl)aminophenoxyacetic acid?
You can request a quote for 4-N,N-bis(2-chloroethyl)aminophenoxyacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-N,N-bis(2-chloroethyl)aminophenoxyacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-N,N-bis(2-chloroethyl)aminophenoxyacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.