A3746/0158776
TL;DR: A3746/0158776 (CAS 1008281-49-9) is a chemical compound with molecular formula C23H23N3O5 and molecular weight 421.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[1-(3-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetyl]amino]benzoate
Also Known As: A3746/0158776, methyl 4-({[1-(3-methylphenyl)-2,5-dioxo-3-(prop-2-en-1-yl)imidazolidin-4-yl]acetyl}amino)benzoate, methyl 4-(2-(3-allyl-2,5-dioxo-1-(m-tolyl)imidazolidin-4-yl)acetamido)benzoate, methyl 4-[[2-[1-(3-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetyl]amino]benzoate, METHYL 4-{2-[1-(3-METHYLPHENYL)-2,5-DIOXO-3-(PROP-2-EN-1-YL)IMIDAZOLIDIN-4-YL]ACETAMIDO}BENZOATE
| Molecular Formula | C23H23N3O5 |
|---|---|
| Molecular Weight | 421.16 g/mol |
| LogP | 3.13362 |
| Topological Polar Surface Area | 96.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 421.16376 |
| Heavy Atoms | 31 |
| Complexity | 1031.7625 |
Chemical Identifiers
| CAS Number | 1008281-49-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)C(N(C2=O)CC=C)CC(=O)NC3=CC=C(C=C3)C(=O)OC |
Product Overview
A3746/0158776 (CAS 1008281-49-9), with molecular formula C23H23N3O5 and molecular weight 421.16 g/mol. IUPAC: methyl 4-[[2-[1-(3-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetyl]amino]benzoate.
Chemical Property Profile of A3746/0158776
Property Insights of A3746/0158776
The XLogP value of 3.13362 indicates that A3746/0158776 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.02 Ų falls within the moderate polarity range, balancing permeability and solubility for A3746/0158776. Following Lipinski's Rule of Five, A3746/0158776 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 A3746/0158776?
The CAS number of A3746/0158776 is 1008281-49-9.
What is the molecular formula of A3746/0158776?
The molecular formula of A3746/0158776 is C23H23N3O5.
What is the molecular weight of A3746/0158776?
The molecular weight of A3746/0158776 is 421.16 g/mol.
Where can I buy A3746/0158776?
You can request a quote for A3746/0158776 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3746/0158776?
Yes, KEHONG BIO provides custom synthesis services for A3746/0158776 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.