AB00113741-01
TL;DR: AB00113741-01 (CAS 381196-65-2) is a chemical compound with molecular formula C22H23N3O5 and molecular weight 409.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-[3-(dimethylamino)propyl]-4-[hydroxy(phenyl)methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Also Known As: AB00113741-01, AS-871/41501828, 4-benzoyl-1-(3-(dimethylamino)propyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one, (4E)-1-[3-(dimethylamino)propyl]-4-[hydroxy(phenyl)methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione, 1-[3-(dimethylamino)propyl]-3-hydroxy-5-(4-nitrophenyl)-4-(phenylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C22H23N3O5 |
|---|---|
| Molecular Weight | 409.16 g/mol |
| LogP | 2.9682 |
| Topological Polar Surface Area | 103.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 409.16376 |
| Heavy Atoms | 30 |
| Complexity | 983.5924 |
Chemical Identifiers
| CAS Number | 381196-65-2 |
|---|---|
| SMILES | CN(C)CCCN1C(/C(=C(/C2=CC=CC=C2)\O)/C(=O)C1=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
AB00113741-01 (CAS 381196-65-2), with molecular formula C22H23N3O5 and molecular weight 409.16 g/mol. IUPAC: (4E)-1-[3-(dimethylamino)propyl]-4-[hydroxy(phenyl)methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of AB00113741-01
Property Insights of AB00113741-01
The XLogP value of 2.9682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00113741-01. The TPSA of 103.99 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00113741-01. Following Lipinski's Rule of Five, AB00113741-01 has 1 hydrogen bond donor(s) and 6 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 AB00113741-01?
The CAS number of AB00113741-01 is 381196-65-2.
What is the molecular formula of AB00113741-01?
The molecular formula of AB00113741-01 is C22H23N3O5.
What is the molecular weight of AB00113741-01?
The molecular weight of AB00113741-01 is 409.16 g/mol.
Where can I buy AB00113741-01?
You can request a quote for AB00113741-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00113741-01?
Yes, KEHONG BIO provides custom synthesis services for AB00113741-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.