Phenol, p-(bis(2-chloroethyl)amino)-, o-methylbenzoate
TL;DR: Phenol, p-(bis(2-chloroethyl)amino)-, o-methylbenzoate (CAS 21667-00-5) 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.
[4-[bis(2-chloroethyl)amino]phenyl] 2-methylbenzoate
Also Known As: [4-[bis amino]phenyl]2-methylbenzoate|4-[bis(2-chloroethyl)amino]phenyl 2-methylbenzoate|Phenol, p-(bis(2-chloroethyl)amino)-, o-methylbenzoate|p-(Bis(2-chloroethyl)amino)phenol o-methylbenzoate|[4-[bis(2-chloroethyl)amino]phenyl] 2-methylbenzoate|4-[Bis(2-chloroethyl)amino]phenyl=2-methylbenzoate|Benzoic acid, o-methyl-, p-(bis(2-chloroethyl)amino)phenyl ester|3-[dimethyl-[3-[(4-octylbenzoyl)amino]propyl]azaniumyl]propane-1-sulfonate|BRN 2766110|RefChem:369440|DTXCID6098542
| Molecular Formula | C18H19Cl2NO2 |
|---|---|
| Molecular Weight | 351.08 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 351.07928 |
| Heavy Atoms | 23 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 21667-00-5 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)N(CCCl)CCCl |
| InChIKey | KRRMOOMFGMSJHJ-UHFFFAOYSA-N |
Product Overview
Phenol, p-(bis(2-chloroethyl)amino)-, o-methylbenzoate (CAS 21667-00-5), with molecular formula C18H19Cl2NO2 and molecular weight 351.08 g/mol. IUPAC: [4-[bis(2-chloroethyl)amino]phenyl] 2-methylbenzoate.
Chemical Property Profile of Phenol, p-(bis(2-chloroethyl)amino)-, o-methylbenzoate
Property Insights of Phenol, p-(bis(2-chloroethyl)amino)-, o-methylbenzoate
The XLogP value of 5.0 indicates that Phenol, p-(bis(2-chloroethyl)amino)-, o-methylbenzoate 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)-, o-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, p-(bis(2-chloroethyl)amino)-, o-methylbenzoate has 0 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 Phenol, p-(bis(2-chloroethyl)amino)-, o-methylbenzoate?
The CAS number of Phenol, p-(bis(2-chloroethyl)amino)-, o-methylbenzoate is 21667-00-5.
What is the molecular formula of Phenol, p-(bis(2-chloroethyl)amino)-, o-methylbenzoate?
The molecular formula of Phenol, p-(bis(2-chloroethyl)amino)-, o-methylbenzoate is C18H19Cl2NO2.
What is the molecular weight of Phenol, p-(bis(2-chloroethyl)amino)-, o-methylbenzoate?
The molecular weight of Phenol, p-(bis(2-chloroethyl)amino)-, o-methylbenzoate is 351.08 g/mol.
Where can I buy Phenol, p-(bis(2-chloroethyl)amino)-, o-methylbenzoate?
You can request a quote for Phenol, p-(bis(2-chloroethyl)amino)-, o-methylbenzoate 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)-, o-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Phenol, p-(bis(2-chloroethyl)amino)-, o-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.