F1831-0060
TL;DR: F1831-0060 (CAS 893126-55-1) is a chemical compound with molecular formula C21H21N3O4S and molecular weight 411.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Also Known As: F1831-0060, 2-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamido]-N-methyl-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide, 2-(2-(1,3-dioxoisoindolin-2-yl)acetamido)-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
| Molecular Formula | C21H21N3O4S |
|---|---|
| Molecular Weight | 411.13 g/mol |
| LogP | 2.6113 |
| Topological Polar Surface Area | 95.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.12527 |
| Heavy Atoms | 29 |
| Complexity | 991.9287 |
Chemical Identifiers
| CAS Number | 893126-55-1 |
|---|---|
| SMILES | CNC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O |
Product Overview
F1831-0060 (CAS 893126-55-1), with molecular formula C21H21N3O4S and molecular weight 411.13 g/mol. IUPAC: 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
Chemical Property Profile of F1831-0060
Property Insights of F1831-0060
The XLogP value of 2.6113 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1831-0060. The TPSA of 95.58 Ų falls within the moderate polarity range, balancing permeability and solubility for F1831-0060. Following Lipinski's Rule of Five, F1831-0060 has 2 hydrogen bond donor(s) and 5 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 F1831-0060?
The CAS number of F1831-0060 is 893126-55-1.
What is the molecular formula of F1831-0060?
The molecular formula of F1831-0060 is C21H21N3O4S.
What is the molecular weight of F1831-0060?
The molecular weight of F1831-0060 is 411.13 g/mol.
Where can I buy F1831-0060?
You can request a quote for F1831-0060 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1831-0060?
Yes, KEHONG BIO provides custom synthesis services for F1831-0060 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.