BAS 00778394
TL;DR: BAS 00778394 (CAS 300819-31-2) is a chemical compound with molecular formula C25H23N3O3S3 and molecular weight 509.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-benzyl-1,3-thiazol-2-yl)-4-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide
Also Known As: BAS 00778394, N-(5-benzyl-1,3-thiazol-2-yl)-4-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide, F0207-0853, (Z)-N-(5-benzylthiazol-2-yl)-4-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide, 4-{5-[(4-methoxyphenyl)methylene]-4-oxo-2-thioxo(1,3-thiazolidin-3-yl)}-N-[5-b enzyl(1,3-thiazol-2-yl)]butanamide
| Molecular Formula | C25H23N3O3S3 |
|---|---|
| Molecular Weight | 509.09 g/mol |
| LogP | 5.3626 |
| Topological Polar Surface Area | 71.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 509.09015 |
| Heavy Atoms | 34 |
| Complexity | 1206.9037 |
Chemical Identifiers
| CAS Number | 300819-31-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=NC=C(S3)CC4=CC=CC=C4 |
Product Overview
BAS 00778394 (CAS 300819-31-2), with molecular formula C25H23N3O3S3 and molecular weight 509.09 g/mol. IUPAC: N-(5-benzyl-1,3-thiazol-2-yl)-4-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide.
Chemical Property Profile of BAS 00778394
Property Insights of BAS 00778394
The XLogP value of 5.3626 indicates that BAS 00778394 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.53 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00778394. Following Lipinski's Rule of Five, BAS 00778394 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00778394?
The CAS number of BAS 00778394 is 300819-31-2.
What is the molecular formula of BAS 00778394?
The molecular formula of BAS 00778394 is C25H23N3O3S3.
What is the molecular weight of BAS 00778394?
The molecular weight of BAS 00778394 is 509.09 g/mol.
Where can I buy BAS 00778394?
You can request a quote for BAS 00778394 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00778394?
Yes, KEHONG BIO provides custom synthesis services for BAS 00778394 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.