Hexamethylenetetramine, compd. with methyl((4-bromo-alpha-chloro-o-tolyl)oxy)acetate (1:1)
TL;DR: Hexamethylenetetramine, compd. with methyl((4-bromo-alpha-chloro-o-tolyl)oxy)acetate (1:1) (CAS 19938-61-5) is a chemical compound with molecular formula C16H22BrClN4O3 and molecular weight 432.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-bromo-2-(chloromethyl)phenoxy]acetate;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
Also Known As: Hexamethylenetetramine, compd. with methyl((4-bromo-alpha-chloro-o-tolyl)oxy)acetate (1:1), ((4-Bromo-alpha-chloro-o-tolyl)oxy)acetic acid methyl ester, compd. with hexamethylenetetramine (1:1), Acetic acid, ((4-bromo-2-(chloromethyl))phenoxy)-, methyl ester, compd. with 1,3,5,7-tetraazatricyclo(3.3.1.1(sup 3,7))decane (1:1), methyl[4-bromo-2-(chloromethyl)phenoxy]acetate- 1,3,5,7-tetraazatricyclo[3.3.1.13,7]decane(1:1), Methyl [4-bromo-2-(chloromethyl)phenoxy]acetate--1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decane (1/1)
| Molecular Formula | C16H22BrClN4O3 |
|---|---|
| Molecular Weight | 432.06 g/mol |
| LogP | 1.7199 |
| Topological Polar Surface Area | 48.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.05637 |
| Heavy Atoms | 25 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 19938-61-5 |
|---|---|
| SMILES | COC(=O)COC1=C(C=C(C=C1)Br)CCl.C1N2CN3CN1CN(C2)C3 |
| InChIKey | NLCNCHOANNPJFG-UHFFFAOYSA-N |
Product Overview
Hexamethylenetetramine, compd. with methyl((4-bromo-alpha-chloro-o-tolyl)oxy)acetate (1:1) (CAS 19938-61-5), with molecular formula C16H22BrClN4O3 and molecular weight 432.06 g/mol. IUPAC: methyl 2-[4-bromo-2-(chloromethyl)phenoxy]acetate;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of Hexamethylenetetramine, compd. with methyl((4-bromo-alpha-chloro-o-tolyl)oxy)acetate (1:1)
Property Insights of Hexamethylenetetramine, compd. with methyl((4-bromo-alpha-chloro-o-tolyl)oxy)acetate (1:1)
The XLogP value of 1.7199 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexamethylenetetramine, compd. with methyl((4-bromo-alpha-chloro-o-tolyl)oxy)acetate (1:1). With a topological polar surface area (TPSA) of 48.5 Ų, Hexamethylenetetramine, compd. with methyl((4-bromo-alpha-chloro-o-tolyl)oxy)acetate (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexamethylenetetramine, compd. with methyl((4-bromo-alpha-chloro-o-tolyl)oxy)acetate (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 Hexamethylenetetramine, compd. with methyl((4-bromo-alpha-chloro-o-tolyl)oxy)acetate (1:1)?
The CAS number of Hexamethylenetetramine, compd. with methyl((4-bromo-alpha-chloro-o-tolyl)oxy)acetate (1:1) is 19938-61-5.
What is the molecular formula of Hexamethylenetetramine, compd. with methyl((4-bromo-alpha-chloro-o-tolyl)oxy)acetate (1:1)?
The molecular formula of Hexamethylenetetramine, compd. with methyl((4-bromo-alpha-chloro-o-tolyl)oxy)acetate (1:1) is C16H22BrClN4O3.
What is the molecular weight of Hexamethylenetetramine, compd. with methyl((4-bromo-alpha-chloro-o-tolyl)oxy)acetate (1:1)?
The molecular weight of Hexamethylenetetramine, compd. with methyl((4-bromo-alpha-chloro-o-tolyl)oxy)acetate (1:1) is 432.06 g/mol.
Where can I buy Hexamethylenetetramine, compd. with methyl((4-bromo-alpha-chloro-o-tolyl)oxy)acetate (1:1)?
You can request a quote for Hexamethylenetetramine, compd. with methyl((4-bromo-alpha-chloro-o-tolyl)oxy)acetate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexamethylenetetramine, compd. with methyl((4-bromo-alpha-chloro-o-tolyl)oxy)acetate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Hexamethylenetetramine, compd. with methyl((4-bromo-alpha-chloro-o-tolyl)oxy)acetate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.