TA 078
TL;DR: TA 078 (CAS 85915-86-2) is a chemical compound with molecular formula C22H25NO7 and molecular weight 415.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-4-[(2-hydroxyphenyl)methoxy]-4-oxobut-2-enoic acid
Also Known As: TA 078, (E)-3-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-4-[(2-hydroxyphenyl)methoxy]-4-oxobut-2-enoic acid, (3,4-dimethoxyphenethylaminomethyl)-2-hydroxybenzyl alcohol, (3,4-Dimethoxyphenethylaminomethyl)-2-hydroxybenzyl alcohol fumarate, Benzenemethanol, alpha-(((2-(3,4-dimethoxyphenyl)ethyl)amino)methyl)-2-hydroxy-, (-)-, (E)-2-butenedioate (2:1) (salt)
| Molecular Formula | C22H25NO7 |
|---|---|
| Molecular Weight | 415.16 g/mol |
| LogP | 2.2959 |
| Topological Polar Surface Area | 114.32 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 415.16312 |
| Heavy Atoms | 30 |
| Complexity | 908.10913 |
Chemical Identifiers
| CAS Number | 85915-86-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC/C(=C\C(=O)O)/C(=O)OCC2=CC=CC=C2O)OC |
Product Overview
TA 078 (CAS 85915-86-2), with molecular formula C22H25NO7 and molecular weight 415.16 g/mol. IUPAC: (E)-3-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-4-[(2-hydroxyphenyl)methoxy]-4-oxobut-2-enoic acid.
Chemical Property Profile of TA 078
Property Insights of TA 078
The XLogP value of 2.2959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TA 078. The TPSA of 114.32 Ų falls within the moderate polarity range, balancing permeability and solubility for TA 078. Following Lipinski's Rule of Five, TA 078 has 3 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 TA 078?
The CAS number of TA 078 is 85915-86-2.
What is the molecular formula of TA 078?
The molecular formula of TA 078 is C22H25NO7.
What is the molecular weight of TA 078?
The molecular weight of TA 078 is 415.16 g/mol.
Where can I buy TA 078?
You can request a quote for TA 078 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TA 078?
Yes, KEHONG BIO provides custom synthesis services for TA 078 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.