BAS 00778061
TL;DR: BAS 00778061 (CAS 303027-69-2) is a chemical compound with molecular formula C14H12ClNO3S2 and molecular weight 340.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
Also Known As: BAS 00778061, methyl 3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate, F0207-0511, (Z)-methyl 3-(5-(4-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoate, methyl 3-[(5Z)-5-(4-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate
| Molecular Formula | C14H12ClNO3S2 |
|---|---|
| Molecular Weight | 340.99 g/mol |
| LogP | 3.1043 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.99472 |
| Heavy Atoms | 21 |
| Complexity | 613.1501 |
Chemical Identifiers
| CAS Number | 303027-69-2 |
|---|---|
| SMILES | COC(=O)CCN1C(=O)/C(=C/C2=CC=C(C=C2)Cl)/SC1=S |
Product Overview
BAS 00778061 (CAS 303027-69-2), with molecular formula C14H12ClNO3S2 and molecular weight 340.99 g/mol. IUPAC: methyl 3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate.
Chemical Property Profile of BAS 00778061
Property Insights of BAS 00778061
The XLogP value of 3.1043 indicates that BAS 00778061 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, BAS 00778061 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00778061 has 0 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 00778061?
The CAS number of BAS 00778061 is 303027-69-2.
What is the molecular formula of BAS 00778061?
The molecular formula of BAS 00778061 is C14H12ClNO3S2.
What is the molecular weight of BAS 00778061?
The molecular weight of BAS 00778061 is 340.99 g/mol.
Where can I buy BAS 00778061?
You can request a quote for BAS 00778061 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00778061?
Yes, KEHONG BIO provides custom synthesis services for BAS 00778061 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.