AB00117531-01
TL;DR: AB00117531-01 (CAS 432007-79-9) is a chemical compound with molecular formula C22H16ClN3O5 and molecular weight 437.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-3-[(4-chlorophenyl)methyl]-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione
Also Known As: AB00117531-01, (5E)-3-[(4-chlorophenyl)methyl]-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione, (5E)-3-(4-chlorobenzyl)-5-{[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene}imidazolidine-2,4-dione, (5E)-3-[(4-CHLOROPHENYL)METHYL]-5-{[5-(2-METHYL-4-NITROPHENYL)FURAN-2-YL]METHYLIDENE}IMIDAZOLIDINE-2,4-DIONE
| Molecular Formula | C22H16ClN3O5 |
|---|---|
| Molecular Weight | 437.08 g/mol |
| LogP | 4.90952 |
| Topological Polar Surface Area | 105.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.07785 |
| Heavy Atoms | 31 |
| Complexity | 1230.1984 |
Chemical Identifiers
| CAS Number | 432007-79-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)/C=C/3\C(=O)N(C(=O)N3)CC4=CC=C(C=C4)Cl |
Product Overview
AB00117531-01 (CAS 432007-79-9), with molecular formula C22H16ClN3O5 and molecular weight 437.08 g/mol. IUPAC: (5E)-3-[(4-chlorophenyl)methyl]-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione.
Chemical Property Profile of AB00117531-01
Property Insights of AB00117531-01
The XLogP value of 4.90952 indicates that AB00117531-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.69 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00117531-01. Following Lipinski's Rule of Five, AB00117531-01 has 1 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 AB00117531-01?
The CAS number of AB00117531-01 is 432007-79-9.
What is the molecular formula of AB00117531-01?
The molecular formula of AB00117531-01 is C22H16ClN3O5.
What is the molecular weight of AB00117531-01?
The molecular weight of AB00117531-01 is 437.08 g/mol.
Where can I buy AB00117531-01?
You can request a quote for AB00117531-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00117531-01?
Yes, KEHONG BIO provides custom synthesis services for AB00117531-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.