BAS 02769601
TL;DR: BAS 02769601 (CAS 307542-48-9) is a chemical compound with molecular formula C19H21N3O4S2 and molecular weight 419.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 02769601, (5Z)-5-(1,3-benzodioxol-5-ylmethylene)-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-thioxo-1,3-thiazolidin-4-one, (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-thioxo-1,3-thiazolidin-4-one, (5Z)-5-[(2H-1,3-BENZODIOXOL-5-YL)METHYLIDENE]-3-[3-(4-METHYLPIPERAZIN-1-YL)-3-OXOPROPYL]-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE
| Molecular Formula | C19H21N3O4S2 |
|---|---|
| Molecular Weight | 419.10 g/mol |
| LogP | 1.7806 |
| Topological Polar Surface Area | 62.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.09735 |
| Heavy Atoms | 28 |
| Complexity | 849.5805 |
Chemical Identifiers
| CAS Number | 307542-48-9 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)CCN2C(=O)/C(=C/C3=CC4=C(C=C3)OCO4)/SC2=S |
Product Overview
BAS 02769601 (CAS 307542-48-9), with molecular formula C19H21N3O4S2 and molecular weight 419.10 g/mol. IUPAC: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 02769601
Property Insights of BAS 02769601
The XLogP value of 1.7806 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02769601. The TPSA of 62.32 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02769601. Following Lipinski's Rule of Five, BAS 02769601 has 0 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 02769601?
The CAS number of BAS 02769601 is 307542-48-9.
What is the molecular formula of BAS 02769601?
The molecular formula of BAS 02769601 is C19H21N3O4S2.
What is the molecular weight of BAS 02769601?
The molecular weight of BAS 02769601 is 419.10 g/mol.
Where can I buy BAS 02769601?
You can request a quote for BAS 02769601 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02769601?
Yes, KEHONG BIO provides custom synthesis services for BAS 02769601 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.