BAS 00798225
TL;DR: BAS 00798225 (CAS 301681-97-0) is a chemical compound with molecular formula C22H27NO6S and molecular weight 433.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3-methyl-5-[[2-(2-propan-2-ylphenoxy)acetyl]amino]thiophene-2,4-dicarboxylate
Also Known As: BAS 00798225, diethyl 5-{[(2-isopropylphenoxy)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate, AF-399/11786056, diethyl 3-methyl-5-[[2-(2-propan-2-ylphenoxy)acetyl]amino]thiophene-2,4-dicarboxylate, 2,4-diethyl 3-methyl-5-{2-[2-(propan-2-yl)phenoxy]acetamido}thiophene-2,4-dicarboxylate
| Molecular Formula | C22H27NO6S |
|---|---|
| Molecular Weight | 433.16 g/mol |
| LogP | 4.55082 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 433.1559 |
| Heavy Atoms | 30 |
| Complexity | 918.34674 |
Chemical Identifiers
| CAS Number | 301681-97-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)COC2=CC=CC=C2C(C)C |
Product Overview
BAS 00798225 (CAS 301681-97-0), with molecular formula C22H27NO6S and molecular weight 433.16 g/mol. IUPAC: diethyl 3-methyl-5-[[2-(2-propan-2-ylphenoxy)acetyl]amino]thiophene-2,4-dicarboxylate.
Chemical Property Profile of BAS 00798225
Property Insights of BAS 00798225
The XLogP value of 4.55082 indicates that BAS 00798225 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00798225. Following Lipinski's Rule of Five, BAS 00798225 has 1 hydrogen bond donor(s) and 7 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 BAS 00798225?
The CAS number of BAS 00798225 is 301681-97-0.
What is the molecular formula of BAS 00798225?
The molecular formula of BAS 00798225 is C22H27NO6S.
What is the molecular weight of BAS 00798225?
The molecular weight of BAS 00798225 is 433.16 g/mol.
Where can I buy BAS 00798225?
You can request a quote for BAS 00798225 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00798225?
Yes, KEHONG BIO provides custom synthesis services for BAS 00798225 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.