BAS 01911104
TL;DR: BAS 01911104 (CAS 303117-40-0) is a chemical compound with molecular formula C22H21NO5S2 and molecular weight 443.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(5Z)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
Also Known As: BAS 01911104, methyl 3-{(5Z)-5-[4-(benzyloxy)-3-methoxybenzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoate, (Z)-methyl 3-(5-(4-(benzyloxy)-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoate, methyl 3-(5-{[3-methoxy-4-(phenylmethoxy)phenyl]methylene}-4-oxo-2-thioxo-1,3- thiazolidin-3-yl)propanoate, methyl 3-[(5Z)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
| Molecular Formula | C22H21NO5S2 |
|---|---|
| Molecular Weight | 443.09 g/mol |
| LogP | 4.0385 |
| Topological Polar Surface Area | 65.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 443.08612 |
| Heavy Atoms | 30 |
| Complexity | 974.7481 |
Chemical Identifiers
| CAS Number | 303117-40-0 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)OC)OCC3=CC=CC=C3 |
Product Overview
BAS 01911104 (CAS 303117-40-0), with molecular formula C22H21NO5S2 and molecular weight 443.09 g/mol. IUPAC: methyl 3-[(5Z)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate.
Chemical Property Profile of BAS 01911104
Property Insights of BAS 01911104
The XLogP value of 4.0385 indicates that BAS 01911104 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.07 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01911104. Following Lipinski's Rule of Five, BAS 01911104 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 01911104?
The CAS number of BAS 01911104 is 303117-40-0.
What is the molecular formula of BAS 01911104?
The molecular formula of BAS 01911104 is C22H21NO5S2.
What is the molecular weight of BAS 01911104?
The molecular weight of BAS 01911104 is 443.09 g/mol.
Where can I buy BAS 01911104?
You can request a quote for BAS 01911104 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01911104?
Yes, KEHONG BIO provides custom synthesis services for BAS 01911104 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.