AB00118295-01
TL;DR: AB00118295-01 (CAS 431908-44-0) is a chemical compound with molecular formula C19H15BrN2O6 and molecular weight 446.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-bromo-4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-6-methoxyphenoxy]methyl]benzoic acid
Also Known As: AB00118295-01, (E)-3-((2-bromo-4-((2,5-dioxoimidazolidin-4-ylidene)methyl)-6-methoxyphenoxy)methyl)benzoic acid, 3-({2-bromo-4-[(2,5-dioxo-4-imidazolidinylidene)methyl]-6-methoxyphenoxy}methyl)benzoic acid, 3-({2-bromo-4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-6-methoxyphenoxy}methyl)benzoic acid, 3-[(2-BROMO-4-{[(4E)-2,5-DIOXOIMIDAZOLIDIN-4-YLIDENE]METHYL}-6-METHOXYPHENOXY)METHYL]BENZOIC ACID
| Molecular Formula | C19H15BrN2O6 |
|---|---|
| Molecular Weight | 446.01 g/mol |
| LogP | 2.9152 |
| Topological Polar Surface Area | 113.96 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.01135 |
| Heavy Atoms | 28 |
| Complexity | 1001.9135 |
Chemical Identifiers
| CAS Number | 431908-44-0 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=C/2\C(=O)NC(=O)N2)Br)OCC3=CC(=CC=C3)C(=O)O |
Product Overview
AB00118295-01 (CAS 431908-44-0), with molecular formula C19H15BrN2O6 and molecular weight 446.01 g/mol. IUPAC: 3-[[2-bromo-4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-6-methoxyphenoxy]methyl]benzoic acid.
Chemical Property Profile of AB00118295-01
Property Insights of AB00118295-01
The XLogP value of 2.9152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00118295-01. The TPSA of 113.96 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00118295-01. Following Lipinski's Rule of Five, AB00118295-01 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 AB00118295-01?
The CAS number of AB00118295-01 is 431908-44-0.
What is the molecular formula of AB00118295-01?
The molecular formula of AB00118295-01 is C19H15BrN2O6.
What is the molecular weight of AB00118295-01?
The molecular weight of AB00118295-01 is 446.01 g/mol.
Where can I buy AB00118295-01?
You can request a quote for AB00118295-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00118295-01?
Yes, KEHONG BIO provides custom synthesis services for AB00118295-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.