3,5-Dibromo-beta-dimethylamino-p-phenetidine maleic acid
TL;DR: 3,5-Dibromo-beta-dimethylamino-p-phenetidine maleic acid (CAS 14111-16-1) is a chemical compound with molecular formula C14H18Br2N2O5 and molecular weight 451.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;3,5-dibromo-4-[2-(dimethylamino)ethoxy]aniline
Also Known As: 3,5-Dibromo-beta-dimethylamino-p-phenetidine maleic acid, (E)-but-2-enedioic acid;3,5-dibromo-4-[2-(dimethylamino)ethoxy]aniline, (E)-but-2-enedioic acid; 3,5-dibromo-4-(2-dimethylaminoethyloxy)aniline, 3,5-Dibromo-4-(2-(dimethylamino)ethoxy)benzenamine, (Z)-2-butenedioate (1:1), Benzenamine, 3,5-dibromo-4-[2-(dimethylamino)ethoxy]-, (Z)-2-butenedioate (1:1)
| Molecular Formula | C14H18Br2N2O5 |
|---|---|
| Molecular Weight | 451.96 g/mol |
| LogP | 2.446 |
| Topological Polar Surface Area | 113.09 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.95825 |
| Heavy Atoms | 23 |
| Complexity | 537.2812 |
Chemical Identifiers
| CAS Number | 14111-16-1 |
|---|---|
| SMILES | CN(C)CCOC1=C(C=C(C=C1Br)N)Br.C(=C/C(=O)O)\C(=O)O |
Product Overview
3,5-Dibromo-beta-dimethylamino-p-phenetidine maleic acid (CAS 14111-16-1), with molecular formula C14H18Br2N2O5 and molecular weight 451.96 g/mol. IUPAC: (E)-but-2-enedioic acid;3,5-dibromo-4-[2-(dimethylamino)ethoxy]aniline.
Chemical Property Profile of 3,5-Dibromo-beta-dimethylamino-p-phenetidine maleic acid
Property Insights of 3,5-Dibromo-beta-dimethylamino-p-phenetidine maleic acid
The XLogP value of 2.446 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dibromo-beta-dimethylamino-p-phenetidine maleic acid. The TPSA of 113.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dibromo-beta-dimethylamino-p-phenetidine maleic acid. Following Lipinski's Rule of Five, 3,5-Dibromo-beta-dimethylamino-p-phenetidine maleic acid has 3 hydrogen bond donor(s) and 5 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 3,5-Dibromo-beta-dimethylamino-p-phenetidine maleic acid?
The CAS number of 3,5-Dibromo-beta-dimethylamino-p-phenetidine maleic acid is 14111-16-1.
What is the molecular formula of 3,5-Dibromo-beta-dimethylamino-p-phenetidine maleic acid?
The molecular formula of 3,5-Dibromo-beta-dimethylamino-p-phenetidine maleic acid is C14H18Br2N2O5.
What is the molecular weight of 3,5-Dibromo-beta-dimethylamino-p-phenetidine maleic acid?
The molecular weight of 3,5-Dibromo-beta-dimethylamino-p-phenetidine maleic acid is 451.96 g/mol.
Where can I buy 3,5-Dibromo-beta-dimethylamino-p-phenetidine maleic acid?
You can request a quote for 3,5-Dibromo-beta-dimethylamino-p-phenetidine maleic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dibromo-beta-dimethylamino-p-phenetidine maleic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dibromo-beta-dimethylamino-p-phenetidine maleic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.