AB00684377-01
TL;DR: AB00684377-01 (CAS 476366-07-1) is a chemical compound with molecular formula C22H22N2O7S and molecular weight 458.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-4-methylthiophene-3-carboxylate
Also Known As: AB00684377-01, F0526-2010, ethyl 5-(benzo[d][1,3]dioxol-5-ylmethyl)-2-(2-(2,5-dioxopyrrolidin-1-yl)acetamido)-4-methylthiophene-3-carboxylate, ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-4-methylthiophene-3-carboxylate, ethyl 5-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(2,5-dioxopyrrolidin-1-yl)acetamido]-4-methylthiophene-3-carboxylate
| Molecular Formula | C22H22N2O7S |
|---|---|
| Molecular Weight | 458.11 g/mol |
| LogP | 2.64022 |
| Topological Polar Surface Area | 111.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.11478 |
| Heavy Atoms | 32 |
| Complexity | 1091.9392 |
Chemical Identifiers
| CAS Number | 476366-07-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)CN4C(=O)CCC4=O |
Product Overview
AB00684377-01 (CAS 476366-07-1), with molecular formula C22H22N2O7S and molecular weight 458.11 g/mol. IUPAC: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of AB00684377-01
Property Insights of AB00684377-01
The XLogP value of 2.64022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00684377-01. The TPSA of 111.24 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684377-01. Following Lipinski's Rule of Five, AB00684377-01 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 AB00684377-01?
The CAS number of AB00684377-01 is 476366-07-1.
What is the molecular formula of AB00684377-01?
The molecular formula of AB00684377-01 is C22H22N2O7S.
What is the molecular weight of AB00684377-01?
The molecular weight of AB00684377-01 is 458.11 g/mol.
Where can I buy AB00684377-01?
You can request a quote for AB00684377-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684377-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684377-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.