AB00118796-01
TL;DR: AB00118796-01 (CAS 431978-75-5) is a chemical compound with molecular formula C12H8BrClN2O5 and molecular weight 373.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-bromo-6-chloro-4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]acetic acid
Also Known As: AB00118796-01, AH-487/41183736, (E)-2-(2-bromo-6-chloro-4-((2,5-dioxoimidazolidin-4-ylidene)methyl)phenoxy)acetic acid, {2-bromo-6-chloro-4-[(2,5-dioxo-4-imidazolidinylidene)methyl]phenoxy}acetic acid, {2-bromo-6-chloro-4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy}acetic acid
| Molecular Formula | C12H8BrClN2O5 |
|---|---|
| Molecular Weight | 373.93 g/mol |
| LogP | 1.7462 |
| Topological Polar Surface Area | 104.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.9305 |
| Heavy Atoms | 21 |
| Complexity | 650.6068 |
Chemical Identifiers
| CAS Number | 431978-75-5 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Cl)OCC(=O)O)Br)/C=C/2\C(=O)NC(=O)N2 |
Product Overview
AB00118796-01 (CAS 431978-75-5), with molecular formula C12H8BrClN2O5 and molecular weight 373.93 g/mol. IUPAC: 2-[2-bromo-6-chloro-4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]acetic acid.
Chemical Property Profile of AB00118796-01
Property Insights of AB00118796-01
The XLogP value of 1.7462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00118796-01. The TPSA of 104.73 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00118796-01. Following Lipinski's Rule of Five, AB00118796-01 has 3 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 AB00118796-01?
The CAS number of AB00118796-01 is 431978-75-5.
What is the molecular formula of AB00118796-01?
The molecular formula of AB00118796-01 is C12H8BrClN2O5.
What is the molecular weight of AB00118796-01?
The molecular weight of AB00118796-01 is 373.93 g/mol.
Where can I buy AB00118796-01?
You can request a quote for AB00118796-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00118796-01?
Yes, KEHONG BIO provides custom synthesis services for AB00118796-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.