AB00117705-01
TL;DR: AB00117705-01 (CAS 432011-68-2) is a chemical compound with molecular formula C14H13BrN2O6 and molecular weight 384.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-bromo-4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-6-ethoxyphenoxy]acetic acid
Also Known As: AB00117705-01, AB00117705-04, (E)-2-(2-bromo-4-((2,5-dioxoimidazolidin-4-ylidene)methyl)-6-ethoxyphenoxy)acetic acid, {2-bromo-4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-6-ethoxyphenoxy}acetic acid, 2-[2-bromo-4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]-6-ethoxy-phenoxy]acetic Acid
| Molecular Formula | C14H13BrN2O6 |
|---|---|
| Molecular Weight | 384.00 g/mol |
| LogP | 1.4915 |
| Topological Polar Surface Area | 113.96 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.9957 |
| Heavy Atoms | 23 |
| Complexity | 700.75305 |
Chemical Identifiers
| CAS Number | 432011-68-2 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)/C=C/2\C(=O)NC(=O)N2)Br)OCC(=O)O |
Product Overview
AB00117705-01 (CAS 432011-68-2), with molecular formula C14H13BrN2O6 and molecular weight 384.00 g/mol. IUPAC: 2-[2-bromo-4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-6-ethoxyphenoxy]acetic acid.
Chemical Property Profile of AB00117705-01
Property Insights of AB00117705-01
The XLogP value of 1.4915 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00117705-01. The TPSA of 113.96 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00117705-01. Following Lipinski's Rule of Five, AB00117705-01 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 AB00117705-01?
The CAS number of AB00117705-01 is 432011-68-2.
What is the molecular formula of AB00117705-01?
The molecular formula of AB00117705-01 is C14H13BrN2O6.
What is the molecular weight of AB00117705-01?
The molecular weight of AB00117705-01 is 384.00 g/mol.
Where can I buy AB00117705-01?
You can request a quote for AB00117705-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00117705-01?
Yes, KEHONG BIO provides custom synthesis services for AB00117705-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.