BAS 00779102
TL;DR: BAS 00779102 (CAS 299952-82-2) is a chemical compound with molecular formula C21H18ClN3O3S2 and molecular weight 459.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N'-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]benzohydrazide
Also Known As: BAS 00779102, AB00087977-01, (Z)-2-chloro-N'-(3-(5-(4-methylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)benzohydrazide, 2-chloro-N'-{3-[5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}benzohydrazide, 2-chloro-N'-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]benzohydrazide
| Molecular Formula | C21H18ClN3O3S2 |
|---|---|
| Molecular Weight | 459.05 g/mol |
| LogP | 3.70092 |
| Topological Polar Surface Area | 78.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.04782 |
| Heavy Atoms | 30 |
| Complexity | 1038.047 |
Chemical Identifiers
| CAS Number | 299952-82-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NNC(=O)C3=CC=CC=C3Cl |
Product Overview
BAS 00779102 (CAS 299952-82-2), with molecular formula C21H18ClN3O3S2 and molecular weight 459.05 g/mol. IUPAC: 2-chloro-N'-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]benzohydrazide.
Chemical Property Profile of BAS 00779102
Property Insights of BAS 00779102
The XLogP value of 3.70092 indicates that BAS 00779102 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.51 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00779102. Following Lipinski's Rule of Five, BAS 00779102 has 2 hydrogen bond donor(s) and 5 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 00779102?
The CAS number of BAS 00779102 is 299952-82-2.
What is the molecular formula of BAS 00779102?
The molecular formula of BAS 00779102 is C21H18ClN3O3S2.
What is the molecular weight of BAS 00779102?
The molecular weight of BAS 00779102 is 459.05 g/mol.
Where can I buy BAS 00779102?
You can request a quote for BAS 00779102 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00779102?
Yes, KEHONG BIO provides custom synthesis services for BAS 00779102 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.