AB00117525-01
TL;DR: AB00117525-01 (CAS 432007-65-3) is a chemical compound with molecular formula C20H17BrN2O5 and molecular weight 444.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-[(E)-[1-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetate
Also Known As: AB00117525-01, methyl (2-{(E)-[1-(4-bromobenzyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}phenoxy)acetate, (E)-methyl 2-(2-((1-(4-bromobenzyl)-2,5-dioxoimidazolidin-4-ylidene)methyl)phenoxy)acetate, METHYL 2-(2-{[(4E)-1-[(4-BROMOPHENYL)METHYL]-2,5-DIOXOIMIDAZOLIDIN-4-YLIDENE]METHYL}PHENOXY)ACETATE, methyl 2-[2-[(E)-[1-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetate
| Molecular Formula | C20H17BrN2O5 |
|---|---|
| Molecular Weight | 444.03 g/mol |
| LogP | 3.0938 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.03207 |
| Heavy Atoms | 28 |
| Complexity | 939.8672 |
Chemical Identifiers
| CAS Number | 432007-65-3 |
|---|---|
| SMILES | COC(=O)COC1=CC=CC=C1/C=C/2\C(=O)N(C(=O)N2)CC3=CC=C(C=C3)Br |
Product Overview
AB00117525-01 (CAS 432007-65-3), with molecular formula C20H17BrN2O5 and molecular weight 444.03 g/mol. IUPAC: methyl 2-[2-[(E)-[1-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetate.
Chemical Property Profile of AB00117525-01
Property Insights of AB00117525-01
The XLogP value of 3.0938 indicates that AB00117525-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00117525-01. Following Lipinski's Rule of Five, AB00117525-01 has 1 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 AB00117525-01?
The CAS number of AB00117525-01 is 432007-65-3.
What is the molecular formula of AB00117525-01?
The molecular formula of AB00117525-01 is C20H17BrN2O5.
What is the molecular weight of AB00117525-01?
The molecular weight of AB00117525-01 is 444.03 g/mol.
Where can I buy AB00117525-01?
You can request a quote for AB00117525-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00117525-01?
Yes, KEHONG BIO provides custom synthesis services for AB00117525-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.