AS-871/40789989
TL;DR: AS-871/40789989 (CAS 448227-07-4) is a chemical compound with molecular formula C25H28N2O5S and molecular weight 468.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[6-(1,3-dioxoisoindol-2-yl)hexanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AS-871/40789989, methyl 2-{[6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[6-(1,3-dioxoisoindol-2-yl)hexanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(6-(1,3-dioxoisoindolin-2-yl)hexanamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-[6-(1,3-dioxobenzo[c]azolin-2-yl)hexanoylamino]-6-methyl-4,5,6,7-tetr ahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C25H28N2O5S |
|---|---|
| Molecular Weight | 468.17 g/mol |
| LogP | 4.4546 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 468.1719 |
| Heavy Atoms | 33 |
| Complexity | 1071.212 |
Chemical Identifiers
| CAS Number | 448227-07-4 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCCCCN3C(=O)C4=CC=CC=C4C3=O |
Product Overview
AS-871/40789989 (CAS 448227-07-4), with molecular formula C25H28N2O5S and molecular weight 468.17 g/mol. IUPAC: methyl 2-[6-(1,3-dioxoisoindol-2-yl)hexanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AS-871/40789989
Property Insights of AS-871/40789989
The XLogP value of 4.4546 indicates that AS-871/40789989 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/40789989. Following Lipinski's Rule of Five, AS-871/40789989 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 AS-871/40789989?
The CAS number of AS-871/40789989 is 448227-07-4.
What is the molecular formula of AS-871/40789989?
The molecular formula of AS-871/40789989 is C25H28N2O5S.
What is the molecular weight of AS-871/40789989?
The molecular weight of AS-871/40789989 is 468.17 g/mol.
Where can I buy AS-871/40789989?
You can request a quote for AS-871/40789989 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/40789989?
Yes, KEHONG BIO provides custom synthesis services for AS-871/40789989 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.