AS-871/41987104
TL;DR: AS-871/41987104 (CAS 618409-04-4) is a chemical compound with molecular formula C27H30N2O7 and molecular weight 494.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
Also Known As: AS-871/41987104, (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione, (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-methoxyphenyl)-1-[3-(morpholin-4-yl)propyl]pyrrolidine-2,3-dione, 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-5-(4-methoxyphenyl)-1-[3-(4-morpholinyl)propyl]-1,5-dihydro-2H-pyrrol-2-one, 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-5-(4-methoxyphenyl)-1-[3-(morpholin-4-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C27H30N2O7 |
|---|---|
| Molecular Weight | 494.21 g/mol |
| LogP | 2.6104 |
| Topological Polar Surface Area | 97.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 494.2053 |
| Heavy Atoms | 36 |
| Complexity | 1155.2122 |
Chemical Identifiers
| CAS Number | 618409-04-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2CCCN5CCOCC5 |
Product Overview
AS-871/41987104 (CAS 618409-04-4), with molecular formula C27H30N2O7 and molecular weight 494.21 g/mol. IUPAC: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione.
Chemical Property Profile of AS-871/41987104
Property Insights of AS-871/41987104
The XLogP value of 2.6104 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AS-871/41987104. The TPSA of 97.77 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/41987104. Following Lipinski's Rule of Five, AS-871/41987104 has 1 hydrogen bond donor(s) and 8 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-871/41987104?
The CAS number of AS-871/41987104 is 618409-04-4.
What is the molecular formula of AS-871/41987104?
The molecular formula of AS-871/41987104 is C27H30N2O7.
What is the molecular weight of AS-871/41987104?
The molecular weight of AS-871/41987104 is 494.21 g/mol.
Where can I buy AS-871/41987104?
You can request a quote for AS-871/41987104 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/41987104?
Yes, KEHONG BIO provides custom synthesis services for AS-871/41987104 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.