A2829/0119530
TL;DR: A2829/0119530 (CAS 442667-36-9) is a chemical compound with molecular formula C21H22N2O5 and molecular weight 382.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-(2-aminoethyl)-5-(3,4-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Also Known As: A2829/0119530, 1-(2-aminoethyl)-5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(phenylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one, 1-(2-Aminoethyl)-4-benzoyl-5-(3,4-dimethoxyphenyl)-1,5-dihydro-3-hydroxy-2H-pyrrol-2-one, 1-(2-aminoethyl)-4-benzoyl-5-(3,4-dimethoxyphenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one, 1-(2-aminoethyl)-5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(phenylcarbonyl)-3-pyrrol in-2-one
| Molecular Formula | C21H22N2O5 |
|---|---|
| Molecular Weight | 382.15 g/mol |
| LogP | 2.0842 |
| Topological Polar Surface Area | 102.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.15286 |
| Heavy Atoms | 28 |
| Complexity | 923.64813 |
Chemical Identifiers
| CAS Number | 442667-36-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2/C(=C(/C3=CC=CC=C3)\O)/C(=O)C(=O)N2CCN)OC |
Product Overview
A2829/0119530 (CAS 442667-36-9), with molecular formula C21H22N2O5 and molecular weight 382.15 g/mol. IUPAC: (4E)-1-(2-aminoethyl)-5-(3,4-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione.
Chemical Property Profile of A2829/0119530
Property Insights of A2829/0119530
The XLogP value of 2.0842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2829/0119530. The TPSA of 102.09 Ų falls within the moderate polarity range, balancing permeability and solubility for A2829/0119530. Following Lipinski's Rule of Five, A2829/0119530 has 2 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 A2829/0119530?
The CAS number of A2829/0119530 is 442667-36-9.
What is the molecular formula of A2829/0119530?
The molecular formula of A2829/0119530 is C21H22N2O5.
What is the molecular weight of A2829/0119530?
The molecular weight of A2829/0119530 is 382.15 g/mol.
Where can I buy A2829/0119530?
You can request a quote for A2829/0119530 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2829/0119530?
Yes, KEHONG BIO provides custom synthesis services for A2829/0119530 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.