ChemDiv1_009564
TL;DR: ChemDiv1_009564 (CAS 442152-28-5) is a chemical compound with molecular formula C22H18ClN3O4 and molecular weight 423.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-[(Z)-[1-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]acetate
Also Known As: ChemDiv1_009564, (Z)-methyl 2-(3-((1-(4-chlorobenzyl)-2,5-dioxoimidazolidin-4-ylidene)methyl)-1H-indol-1-yl)acetate, methyl (3-{(Z)-[1-(4-chlorobenzyl)-2-hydroxy-5-oxo-1,5-dihydro-4H-imidazol-4-ylidene]methyl}-1H-indol-1-yl)acetate, METHYL 2-(3-{[(4Z)-1-[(4-CHLOROPHENYL)METHYL]-2,5-DIOXOIMIDAZOLIDIN-4-YLIDENE]METHYL}-1H-INDOL-1-YL)ACETATE, methyl 2-[3-[(Z)-[1-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]acetate
| Molecular Formula | C22H18ClN3O4 |
|---|---|
| Molecular Weight | 423.10 g/mol |
| LogP | 3.5606 |
| Topological Polar Surface Area | 80.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.09857 |
| Heavy Atoms | 30 |
| Complexity | 1180.8158 |
Chemical Identifiers
| CAS Number | 442152-28-5 |
|---|---|
| SMILES | COC(=O)CN1C=C(C2=CC=CC=C21)/C=C\3/C(=O)N(C(=O)N3)CC4=CC=C(C=C4)Cl |
Product Overview
ChemDiv1_009564 (CAS 442152-28-5), with molecular formula C22H18ClN3O4 and molecular weight 423.10 g/mol. IUPAC: methyl 2-[3-[(Z)-[1-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]acetate.
Chemical Property Profile of ChemDiv1_009564
Property Insights of ChemDiv1_009564
The XLogP value of 3.5606 indicates that ChemDiv1_009564 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.64 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009564. Following Lipinski's Rule of Five, ChemDiv1_009564 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 ChemDiv1_009564?
The CAS number of ChemDiv1_009564 is 442152-28-5.
What is the molecular formula of ChemDiv1_009564?
The molecular formula of ChemDiv1_009564 is C22H18ClN3O4.
What is the molecular weight of ChemDiv1_009564?
The molecular weight of ChemDiv1_009564 is 423.10 g/mol.
Where can I buy ChemDiv1_009564?
You can request a quote for ChemDiv1_009564 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009564?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009564 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.