AB00118812-01
TL;DR: AB00118812-01 (CAS 431979-00-9) is a chemical compound with molecular formula C15H13BrN2O4 and molecular weight 364.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]imidazolidine-2,4-dione
Also Known As: AB00118812-01, AB00118812-04, A3068/0129697, (5E)-5-[(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]imidazolidine-2,4-dione, (5E)-5-[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)benzylidene]imidazolidine-2,4-dione
| Molecular Formula | C15H13BrN2O4 |
|---|---|
| Molecular Weight | 364.01 g/mol |
| LogP | 2.0401 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.00586 |
| Heavy Atoms | 22 |
| Complexity | 691.51825 |
Chemical Identifiers
| CAS Number | 431979-00-9 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)/C=C/2\C(=O)NC(=O)N2)Br)OCC#C |
Product Overview
AB00118812-01 (CAS 431979-00-9), with molecular formula C15H13BrN2O4 and molecular weight 364.01 g/mol. IUPAC: (5E)-5-[(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]imidazolidine-2,4-dione.
Chemical Property Profile of AB00118812-01
Property Insights of AB00118812-01
The XLogP value of 2.0401 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00118812-01. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00118812-01. Following Lipinski's Rule of Five, AB00118812-01 has 2 hydrogen bond donor(s) and 4 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 AB00118812-01?
The CAS number of AB00118812-01 is 431979-00-9.
What is the molecular formula of AB00118812-01?
The molecular formula of AB00118812-01 is C15H13BrN2O4.
What is the molecular weight of AB00118812-01?
The molecular weight of AB00118812-01 is 364.01 g/mol.
Where can I buy AB00118812-01?
You can request a quote for AB00118812-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00118812-01?
Yes, KEHONG BIO provides custom synthesis services for AB00118812-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.