AB00672582-01
TL;DR: AB00672582-01 (CAS 477494-67-0) 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-[[3-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Also Known As: AB00672582-01, F0806-0417, 2-(3-(2,5-dioxopyrrolidin-1-yl)benzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, 2-[[3-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, 2-[3-(2,5-dioxopyrrolidin-1-yl)benzamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide
| Molecular Formula | C21H21N3O4S |
|---|---|
| Molecular Weight | 411.13 g/mol |
| LogP | 3.0216 |
| Topological Polar Surface Area | 109.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.12527 |
| Heavy Atoms | 29 |
| Complexity | 1010.9287 |
Chemical Identifiers
| CAS Number | 477494-67-0 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=O)C3=CC(=CC=C3)N4C(=O)CCC4=O |
Product Overview
AB00672582-01 (CAS 477494-67-0), with molecular formula C21H21N3O4S and molecular weight 411.13 g/mol. IUPAC: 2-[[3-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
Chemical Property Profile of AB00672582-01
Property Insights of AB00672582-01
The XLogP value of 3.0216 indicates that AB00672582-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.57 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00672582-01. Following Lipinski's Rule of Five, AB00672582-01 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 AB00672582-01?
The CAS number of AB00672582-01 is 477494-67-0.
What is the molecular formula of AB00672582-01?
The molecular formula of AB00672582-01 is C21H21N3O4S.
What is the molecular weight of AB00672582-01?
The molecular weight of AB00672582-01 is 411.13 g/mol.
Where can I buy AB00672582-01?
You can request a quote for AB00672582-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672582-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672582-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.