AB00117527-01
TL;DR: AB00117527-01 (CAS 432007-67-5) is a chemical compound with molecular formula C21H19BrN2O6 and molecular weight 474.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(E)-[1-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-ethoxyphenoxy]acetic acid
Also Known As: AB00117527-01, (4-{(E)-[1-(4-bromobenzyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}-2-ethoxyphenoxy)acetic acid, (E)-2-(4-((1-(4-bromobenzyl)-2,5-dioxoimidazolidin-4-ylidene)methyl)-2-ethoxyphenoxy)acetic acid, 2-(4-{[(4E)-1-[(4-BROMOPHENYL)METHYL]-2,5-DIOXOIMIDAZOLIDIN-4-YLIDENE]METHYL}-2-ETHOXYPHENOXY)ACETIC ACID, 2-[4-[(E)-[1-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-ethoxyphenoxy]acetic acid
| Molecular Formula | C21H19BrN2O6 |
|---|---|
| Molecular Weight | 474.04 g/mol |
| LogP | 3.4041 |
| Topological Polar Surface Area | 105.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 474.04266 |
| Heavy Atoms | 30 |
| Complexity | 1003.0562 |
Chemical Identifiers
| CAS Number | 432007-67-5 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=O)N2)CC3=CC=C(C=C3)Br)OCC(=O)O |
Product Overview
AB00117527-01 (CAS 432007-67-5), with molecular formula C21H19BrN2O6 and molecular weight 474.04 g/mol. IUPAC: 2-[4-[(E)-[1-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-ethoxyphenoxy]acetic acid.
Chemical Property Profile of AB00117527-01
Property Insights of AB00117527-01
The XLogP value of 3.4041 indicates that AB00117527-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.17 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00117527-01. Following Lipinski's Rule of Five, AB00117527-01 has 2 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 AB00117527-01?
The CAS number of AB00117527-01 is 432007-67-5.
What is the molecular formula of AB00117527-01?
The molecular formula of AB00117527-01 is C21H19BrN2O6.
What is the molecular weight of AB00117527-01?
The molecular weight of AB00117527-01 is 474.04 g/mol.
Where can I buy AB00117527-01?
You can request a quote for AB00117527-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00117527-01?
Yes, KEHONG BIO provides custom synthesis services for AB00117527-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.