AB00672579-01
TL;DR: AB00672579-01 (CAS 477494-47-6) is a chemical compound with molecular formula C20H19N3O4S and molecular weight 397.11 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]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Also Known As: AB00672579-01, 2-(2-(1,3-dioxoisoindolin-2-yl)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, F0806-0406, 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, 2-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide
| Molecular Formula | C20H19N3O4S |
|---|---|
| Molecular Weight | 397.11 g/mol |
| LogP | 2.3506 |
| Topological Polar Surface Area | 109.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.10962 |
| Heavy Atoms | 28 |
| Complexity | 975.8749 |
Chemical Identifiers
| CAS Number | 477494-47-6 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O |
Product Overview
AB00672579-01 (CAS 477494-47-6), with molecular formula C20H19N3O4S and molecular weight 397.11 g/mol. IUPAC: 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
Chemical Property Profile of AB00672579-01
Property Insights of AB00672579-01
The XLogP value of 2.3506 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00672579-01. The TPSA of 109.57 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00672579-01. Following Lipinski's Rule of Five, AB00672579-01 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 AB00672579-01?
The CAS number of AB00672579-01 is 477494-47-6.
What is the molecular formula of AB00672579-01?
The molecular formula of AB00672579-01 is C20H19N3O4S.
What is the molecular weight of AB00672579-01?
The molecular weight of AB00672579-01 is 397.11 g/mol.
Where can I buy AB00672579-01?
You can request a quote for AB00672579-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672579-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672579-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.