BAS 00567001
TL;DR: BAS 00567001 (CAS 6050-65-3) is a chemical compound with molecular formula C22H22N2O6S and molecular weight 442.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)propanamide
Also Known As: BAS 00567001, BIM-0042840.P001, 3-[(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)propanamide, 3-[5-(3,4-dimethoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)propanamide, 3-{(5E)-5-[(3,4-Dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}-N-(4-methoxyphenyl)propanamide
| Molecular Formula | C22H22N2O6S |
|---|---|
| Molecular Weight | 442.12 g/mol |
| LogP | 3.7775 |
| Topological Polar Surface Area | 94.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 442.11984 |
| Heavy Atoms | 31 |
| Complexity | 1019.16125 |
Chemical Identifiers
| CAS Number | 6050-65-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)CCN2C(=O)/C(=C\C3=CC(=C(C=C3)OC)OC)/SC2=O |
Product Overview
BAS 00567001 (CAS 6050-65-3), with molecular formula C22H22N2O6S and molecular weight 442.12 g/mol. IUPAC: 3-[(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)propanamide.
Chemical Property Profile of BAS 00567001
Property Insights of BAS 00567001
The XLogP value of 3.7775 indicates that BAS 00567001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.17 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00567001. Following Lipinski's Rule of Five, BAS 00567001 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 00567001?
The CAS number of BAS 00567001 is 6050-65-3.
What is the molecular formula of BAS 00567001?
The molecular formula of BAS 00567001 is C22H22N2O6S.
What is the molecular weight of BAS 00567001?
The molecular weight of BAS 00567001 is 442.12 g/mol.
Where can I buy BAS 00567001?
You can request a quote for BAS 00567001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00567001?
Yes, KEHONG BIO provides custom synthesis services for BAS 00567001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.