Phenol, p-(bis(2-chloroethyl)amino)-, p-methoxybenzoate
TL;DR: Phenol, p-(bis(2-chloroethyl)amino)-, p-methoxybenzoate (CAS 22953-57-7) is a chemical compound with molecular formula C18H19Cl2NO3 and molecular weight 367.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[bis(2-chloroethyl)amino]phenyl] 4-methoxybenzoate
Also Known As: p-(Bis(2-chloroethyl)amino)phenyl p-methoxybenzoate, [4-[bis amino]phenyl]4-methoxybenzoate, 4-[bis(2-chloroethyl)amino]phenyl 4-methoxybenzoate, p-(Bis(2-chloroethyl)amino)phenol p-methoxybenzoate, Phenol, p-(bis(2-chloroethyl)amino)-, p-methoxybenzoate
| Molecular Formula | C18H19Cl2NO3 |
|---|---|
| Molecular Weight | 367.07 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 367.0742 |
| Heavy Atoms | 24 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 22953-57-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)N(CCCl)CCCl |
| InChIKey | HYSSJKYEXPISGA-UHFFFAOYSA-N |
Product Overview
Phenol, p-(bis(2-chloroethyl)amino)-, p-methoxybenzoate (CAS 22953-57-7), with molecular formula C18H19Cl2NO3 and molecular weight 367.07 g/mol. IUPAC: [4-[bis(2-chloroethyl)amino]phenyl] 4-methoxybenzoate.
Chemical Property Profile of Phenol, p-(bis(2-chloroethyl)amino)-, p-methoxybenzoate
Property Insights of Phenol, p-(bis(2-chloroethyl)amino)-, p-methoxybenzoate
The XLogP value of 4.6 indicates that Phenol, p-(bis(2-chloroethyl)amino)-, p-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, Phenol, p-(bis(2-chloroethyl)amino)-, p-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, p-(bis(2-chloroethyl)amino)-, p-methoxybenzoate has 0 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 Phenol, p-(bis(2-chloroethyl)amino)-, p-methoxybenzoate?
The CAS number of Phenol, p-(bis(2-chloroethyl)amino)-, p-methoxybenzoate is 22953-57-7.
What is the molecular formula of Phenol, p-(bis(2-chloroethyl)amino)-, p-methoxybenzoate?
The molecular formula of Phenol, p-(bis(2-chloroethyl)amino)-, p-methoxybenzoate is C18H19Cl2NO3.
What is the molecular weight of Phenol, p-(bis(2-chloroethyl)amino)-, p-methoxybenzoate?
The molecular weight of Phenol, p-(bis(2-chloroethyl)amino)-, p-methoxybenzoate is 367.07 g/mol.
Where can I buy Phenol, p-(bis(2-chloroethyl)amino)-, p-methoxybenzoate?
You can request a quote for Phenol, p-(bis(2-chloroethyl)amino)-, p-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, p-(bis(2-chloroethyl)amino)-, p-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Phenol, p-(bis(2-chloroethyl)amino)-, p-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.