BAS 02769648
TL;DR: BAS 02769648 (CAS 314736-32-8) is a chemical compound with molecular formula C20H16N4O5S2 and molecular weight 456.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]pyridine-4-carbohydrazide
Also Known As: BAS 02769648, F1025-0032, (Z)-N'-(3-(5-(benzo[d][1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)isonicotinohydrazide, N'-{3-[(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl}pyridine-4-carbohydrazide, N'-[3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]pyridine-4-carbohydrazide
| Molecular Formula | C20H16N4O5S2 |
|---|---|
| Molecular Weight | 456.06 g/mol |
| LogP | 1.8628 |
| Topological Polar Surface Area | 109.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.0562 |
| Heavy Atoms | 31 |
| Complexity | 1090.2327 |
Chemical Identifiers
| CAS Number | 314736-32-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C\3/C(=O)N(C(=S)S3)CCC(=O)NNC(=O)C4=CC=NC=C4 |
Product Overview
BAS 02769648 (CAS 314736-32-8), with molecular formula C20H16N4O5S2 and molecular weight 456.06 g/mol. IUPAC: N'-[3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]pyridine-4-carbohydrazide.
Chemical Property Profile of BAS 02769648
Property Insights of BAS 02769648
The XLogP value of 1.8628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02769648. The TPSA of 109.86 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02769648. Following Lipinski's Rule of Five, BAS 02769648 has 2 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 BAS 02769648?
The CAS number of BAS 02769648 is 314736-32-8.
What is the molecular formula of BAS 02769648?
The molecular formula of BAS 02769648 is C20H16N4O5S2.
What is the molecular weight of BAS 02769648?
The molecular weight of BAS 02769648 is 456.06 g/mol.
Where can I buy BAS 02769648?
You can request a quote for BAS 02769648 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02769648?
Yes, KEHONG BIO provides custom synthesis services for BAS 02769648 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.