Phenol, p-(bis(2-bromoethyl)amino)-, o-isopropylbenzoate
TL;DR: Phenol, p-(bis(2-bromoethyl)amino)-, o-isopropylbenzoate (CAS 22954-14-9) is a chemical compound with molecular formula C20H23Br2NO2 and molecular weight 467.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[bis(2-bromoethyl)amino]phenyl] 2-propan-2-ylbenzoate
Also Known As: [4-(bis phenyl]2-propan-2-ylbenzoate|p-(Bis(2-bromoethyl)amino)phenyl o-isopropylbenzoate|p-(Bis(2-bromoethyl)amino)phenol o-isopropylbenzoate|4-[bis(2-bromoethyl)amino]phenyl 2-(propan-2-yl)benzoate|Phenol, p-(bis(2-bromoethyl)amino)-, o-isopropylbenzoate|Benzoic acid, o-isopropyl-, p-(bis(2-bromoethyl)amino)phenyl ester|p-[Bis(2-bromoethyl)amino]phenyl=o-isopropylbenzoate|[4-[bis(2-bromoethyl)amino]phenyl] 2-propan-2-ylbenzoate|2-Ethyl-benzoic acid 4-[bis-(2-bromo-ethyl)-amino]-phenyl ester|Benzoic acid, o-isopropyl-, p-[bis(2-bromoethyl)amino]phenyl ester|1-(3,5-dimethylanilino)-3-(propan-2-ylamino)propan-2-ol,dihydrochloride|Benzoic acid, 2-(1-methylethyl)-, 4-[bis(2-bromoethyl)amino]phenyl ester|BRN 3067151|RefChem:369421
| Molecular Formula | C20H23Br2NO2 |
|---|---|
| Molecular Weight | 467.01 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 469.0075 |
| Heavy Atoms | 25 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 22954-14-9 |
|---|---|
| SMILES | CC(C)C1=CC=CC=C1C(=O)OC2=CC=C(C=C2)N(CCBr)CCBr |
| InChIKey | PRMOCPYCVSHNMG-UHFFFAOYSA-N |
Product Overview
Phenol, p-(bis(2-bromoethyl)amino)-, o-isopropylbenzoate (CAS 22954-14-9), with molecular formula C20H23Br2NO2 and molecular weight 467.01 g/mol. IUPAC: [4-[bis(2-bromoethyl)amino]phenyl] 2-propan-2-ylbenzoate.
Chemical Property Profile of Phenol, p-(bis(2-bromoethyl)amino)-, o-isopropylbenzoate
Property Insights of Phenol, p-(bis(2-bromoethyl)amino)-, o-isopropylbenzoate
The XLogP value of 6.1 indicates that Phenol, p-(bis(2-bromoethyl)amino)-, o-isopropylbenzoate 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-bromoethyl)amino)-, o-isopropylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, p-(bis(2-bromoethyl)amino)-, o-isopropylbenzoate 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-bromoethyl)amino)-, o-isopropylbenzoate?
The CAS number of Phenol, p-(bis(2-bromoethyl)amino)-, o-isopropylbenzoate is 22954-14-9.
What is the molecular formula of Phenol, p-(bis(2-bromoethyl)amino)-, o-isopropylbenzoate?
The molecular formula of Phenol, p-(bis(2-bromoethyl)amino)-, o-isopropylbenzoate is C20H23Br2NO2.
What is the molecular weight of Phenol, p-(bis(2-bromoethyl)amino)-, o-isopropylbenzoate?
The molecular weight of Phenol, p-(bis(2-bromoethyl)amino)-, o-isopropylbenzoate is 467.01 g/mol.
Where can I buy Phenol, p-(bis(2-bromoethyl)amino)-, o-isopropylbenzoate?
You can request a quote for Phenol, p-(bis(2-bromoethyl)amino)-, o-isopropylbenzoate 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-bromoethyl)amino)-, o-isopropylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Phenol, p-(bis(2-bromoethyl)amino)-, o-isopropylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.