Phenol, p-(bis(2-chloroethyl)amino)-, 2,6-dimethylbenzoate
TL;DR: Phenol, p-(bis(2-chloroethyl)amino)-, 2,6-dimethylbenzoate (CAS 21667-01-6) is a chemical compound with molecular formula C19H21Cl2NO2 and molecular weight 365.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[bis(2-chloroethyl)amino]phenyl] 2,6-dimethylbenzoate
Also Known As: 4-[bis(2-chloroethyl)amino]phenyl 2,6-dimethylbenzoate, p-(Bis(2-chloroethyl)amino)phenol 2,6-dimethylbenzoate, p-(Bis(2-chloroethyl)amino)phenyl 2,6-dimethylbenzoate, Phenol, p-(bis(2-chloroethyl)amino)-, 2,6-dimethylbenzoate, Benzoic acid, 2,6-dimethyl-, p-(bis(2-chloroethyl)amino)phenyl ester
| Molecular Formula | C19H21Cl2NO2 |
|---|---|
| Molecular Weight | 365.09 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 365.09494 |
| Heavy Atoms | 24 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 21667-01-6 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)C(=O)OC2=CC=C(C=C2)N(CCCl)CCCl |
| InChIKey | TZLVOSZIPXICJI-UHFFFAOYSA-N |
Product Overview
Phenol, p-(bis(2-chloroethyl)amino)-, 2,6-dimethylbenzoate (CAS 21667-01-6), with molecular formula C19H21Cl2NO2 and molecular weight 365.09 g/mol. IUPAC: [4-[bis(2-chloroethyl)amino]phenyl] 2,6-dimethylbenzoate.
Chemical Property Profile of Phenol, p-(bis(2-chloroethyl)amino)-, 2,6-dimethylbenzoate
Property Insights of Phenol, p-(bis(2-chloroethyl)amino)-, 2,6-dimethylbenzoate
The XLogP value of 5.4 indicates that Phenol, p-(bis(2-chloroethyl)amino)-, 2,6-dimethylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Phenol, p-(bis(2-chloroethyl)amino)-, 2,6-dimethylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, p-(bis(2-chloroethyl)amino)-, 2,6-dimethylbenzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenol, p-(bis(2-chloroethyl)amino)-, 2,6-dimethylbenzoate?
The CAS number of Phenol, p-(bis(2-chloroethyl)amino)-, 2,6-dimethylbenzoate is 21667-01-6.
What is the molecular formula of Phenol, p-(bis(2-chloroethyl)amino)-, 2,6-dimethylbenzoate?
The molecular formula of Phenol, p-(bis(2-chloroethyl)amino)-, 2,6-dimethylbenzoate is C19H21Cl2NO2.
What is the molecular weight of Phenol, p-(bis(2-chloroethyl)amino)-, 2,6-dimethylbenzoate?
The molecular weight of Phenol, p-(bis(2-chloroethyl)amino)-, 2,6-dimethylbenzoate is 365.09 g/mol.
Where can I buy Phenol, p-(bis(2-chloroethyl)amino)-, 2,6-dimethylbenzoate?
You can request a quote for Phenol, p-(bis(2-chloroethyl)amino)-, 2,6-dimethylbenzoate 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)-, 2,6-dimethylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Phenol, p-(bis(2-chloroethyl)amino)-, 2,6-dimethylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.