AS-871/41704407
TL;DR: AS-871/41704407 (CAS 500104-79-0) is a chemical compound with molecular formula C29H30N2O5 and molecular weight 486.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-[2-(dimethylamino)ethyl]-4-[hydroxy-(3-methyl-4-phenylmethoxyphenyl)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
Also Known As: AS-871/41704407, 4-[4-(benzyloxy)-3-methylbenzoyl]-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxyphenyl)-1,5-dihydro-2H-pyrrol-2-one, 4-[4-(benzyloxy)-3-methylbenzoyl]-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro-1H-pyrrol-2-one, (4E)-1-(2-dimethylaminoethyl)-4-[hydroxy-(3-methyl-4-phenylmethoxyphenyl)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione, 4-(4-(benzyloxy)-3-methylbenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-hydroxyphenyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C29H30N2O5 |
|---|---|
| Molecular Weight | 486.22 g/mol |
| LogP | 4.26292 |
| Topological Polar Surface Area | 90.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 486.21548 |
| Heavy Atoms | 36 |
| Complexity | 1282.7765 |
Chemical Identifiers
| CAS Number | 500104-79-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)CCN(C)C)C3=CC=C(C=C3)O)/O)OCC4=CC=CC=C4 |
Product Overview
AS-871/41704407 (CAS 500104-79-0), with molecular formula C29H30N2O5 and molecular weight 486.22 g/mol. IUPAC: (4E)-1-[2-(dimethylamino)ethyl]-4-[hydroxy-(3-methyl-4-phenylmethoxyphenyl)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of AS-871/41704407
Property Insights of AS-871/41704407
The XLogP value of 4.26292 indicates that AS-871/41704407 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.31 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/41704407. Following Lipinski's Rule of Five, AS-871/41704407 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 AS-871/41704407?
The CAS number of AS-871/41704407 is 500104-79-0.
What is the molecular formula of AS-871/41704407?
The molecular formula of AS-871/41704407 is C29H30N2O5.
What is the molecular weight of AS-871/41704407?
The molecular weight of AS-871/41704407 is 486.22 g/mol.
Where can I buy AS-871/41704407?
You can request a quote for AS-871/41704407 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/41704407?
Yes, KEHONG BIO provides custom synthesis services for AS-871/41704407 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.