AB00116929-01
TL;DR: AB00116929-01 (CAS 431928-56-2) is a chemical compound with molecular formula C18H12BrClN2O4 and molecular weight 433.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-3-[(4-bromophenyl)methyl]-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione
Also Known As: AB00116929-01, (5E)-3-[(4-bromophenyl)methyl]-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione, (5E)-3-(4-bromobenzyl)-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione, (5E)-3-[(4-BROMOPHENYL)METHYL]-5-[(6-CHLORO-2H-1,3-BENZODIOXOL-5-YL)METHYLIDENE]IMIDAZOLIDINE-2,4-DIONE
| Molecular Formula | C18H12BrClN2O4 |
|---|---|
| Molecular Weight | 433.97 g/mol |
| LogP | 3.9241 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 433.9669 |
| Heavy Atoms | 26 |
| Complexity | 942.95245 |
Chemical Identifiers
| CAS Number | 431928-56-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)/C=C/3\C(=O)N(C(=O)N3)CC4=CC=C(C=C4)Br)Cl |
Product Overview
AB00116929-01 (CAS 431928-56-2), with molecular formula C18H12BrClN2O4 and molecular weight 433.97 g/mol. IUPAC: (5E)-3-[(4-bromophenyl)methyl]-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione.
Chemical Property Profile of AB00116929-01
Property Insights of AB00116929-01
The XLogP value of 3.9241 indicates that AB00116929-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00116929-01. Following Lipinski's Rule of Five, AB00116929-01 has 1 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 AB00116929-01?
The CAS number of AB00116929-01 is 431928-56-2.
What is the molecular formula of AB00116929-01?
The molecular formula of AB00116929-01 is C18H12BrClN2O4.
What is the molecular weight of AB00116929-01?
The molecular weight of AB00116929-01 is 433.97 g/mol.
Where can I buy AB00116929-01?
You can request a quote for AB00116929-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00116929-01?
Yes, KEHONG BIO provides custom synthesis services for AB00116929-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.