(4-Bromo-2-(chloromethyl)phenoxy)acetic acid ethyl ester compound withhexamethylenetetramine (1:1)
TL;DR: (4-Bromo-2-(chloromethyl)phenoxy)acetic acid ethyl ester compound withhexamethylenetetramine (1:1) (CAS 19933-44-9) is a chemical compound with molecular formula C17H24BrClN4O3 and molecular weight 446.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-bromo-2-(chloromethyl)phenoxy]acetate;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
Also Known As: (4-Bromo-2-(chloromethyl)phenoxy)acetic acid ethyl ester compound withhexamethylenetetramine (1:1), Hexamethylenetetramine, compd. with ethyl((4-bromo-alpha-chloro-o-tolyl)oxy)acetate (1:1), Acetic acid, ((4-bromo-alpha-chloro-o-tolyl)oxy)-, ethyl ester, compd. with hexamethylenetetraamine (1:1), ethyl[4-bromo-2-(chloromethyl)phenoxy]acetate- 1,3,5,7-tetraazatricyclo[3.3.1.13,7]decane(1:1), (4-BROMO-2-(CHLOROMETHYL)PHENOXY)ACETIC ACID ETHYL ESTER COMPOUND WITH HEXAMETHYLENETETRAMINE(1:1)
| Molecular Formula | C17H24BrClN4O3 |
|---|---|
| Molecular Weight | 446.07 g/mol |
| LogP | 2.11 |
| Topological Polar Surface Area | 48.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.07202 |
| Heavy Atoms | 26 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 19933-44-9 |
|---|---|
| SMILES | CCOC(=O)COC1=C(C=C(C=C1)Br)CCl.C1N2CN3CN1CN(C2)C3 |
| InChIKey | PQMLSJUSTYTFFX-UHFFFAOYSA-N |
Product Overview
(4-Bromo-2-(chloromethyl)phenoxy)acetic acid ethyl ester compound withhexamethylenetetramine (1:1) (CAS 19933-44-9), with molecular formula C17H24BrClN4O3 and molecular weight 446.07 g/mol. IUPAC: ethyl 2-[4-bromo-2-(chloromethyl)phenoxy]acetate;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of (4-Bromo-2-(chloromethyl)phenoxy)acetic acid ethyl ester compound withhexamethylenetetramine (1:1)
Property Insights of (4-Bromo-2-(chloromethyl)phenoxy)acetic acid ethyl ester compound withhexamethylenetetramine (1:1)
The XLogP value of 2.11 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Bromo-2-(chloromethyl)phenoxy)acetic acid ethyl ester compound withhexamethylenetetramine (1:1). With a topological polar surface area (TPSA) of 48.5 Ų, (4-Bromo-2-(chloromethyl)phenoxy)acetic acid ethyl ester compound withhexamethylenetetramine (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Bromo-2-(chloromethyl)phenoxy)acetic acid ethyl ester compound withhexamethylenetetramine (1:1) has 0 hydrogen bond donor(s) and 7 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-Bromo-2-(chloromethyl)phenoxy)acetic acid ethyl ester compound withhexamethylenetetramine (1:1)?
The CAS number of (4-Bromo-2-(chloromethyl)phenoxy)acetic acid ethyl ester compound withhexamethylenetetramine (1:1) is 19933-44-9.
What is the molecular formula of (4-Bromo-2-(chloromethyl)phenoxy)acetic acid ethyl ester compound withhexamethylenetetramine (1:1)?
The molecular formula of (4-Bromo-2-(chloromethyl)phenoxy)acetic acid ethyl ester compound withhexamethylenetetramine (1:1) is C17H24BrClN4O3.
What is the molecular weight of (4-Bromo-2-(chloromethyl)phenoxy)acetic acid ethyl ester compound withhexamethylenetetramine (1:1)?
The molecular weight of (4-Bromo-2-(chloromethyl)phenoxy)acetic acid ethyl ester compound withhexamethylenetetramine (1:1) is 446.07 g/mol.
Where can I buy (4-Bromo-2-(chloromethyl)phenoxy)acetic acid ethyl ester compound withhexamethylenetetramine (1:1)?
You can request a quote for (4-Bromo-2-(chloromethyl)phenoxy)acetic acid ethyl ester compound withhexamethylenetetramine (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Bromo-2-(chloromethyl)phenoxy)acetic acid ethyl ester compound withhexamethylenetetramine (1:1)?
Yes, KEHONG BIO provides custom synthesis services for (4-Bromo-2-(chloromethyl)phenoxy)acetic acid ethyl ester compound withhexamethylenetetramine (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.