BAS 04456438
TL;DR: BAS 04456438 (CAS 461439-53-2) is a chemical compound with molecular formula C20H15FN2O3S and molecular weight 382.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-fluorobenzoate
Also Known As: BAS 04456438, 4-((5-(p-tolyl)-1,3,4-oxadiazol-2-yl)thio)but-2-yn-1-yl 4-fluorobenzoate, 4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-fluorobenzoate, 4-{[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 4-fluorobenzoate
| Molecular Formula | C20H15FN2O3S |
|---|---|
| Molecular Weight | 382.08 g/mol |
| LogP | 4.13662 |
| Topological Polar Surface Area | 65.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.07874 |
| Heavy Atoms | 27 |
| Complexity | 972.9566 |
Chemical Identifiers
| CAS Number | 461439-53-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(O2)SCC#CCOC(=O)C3=CC=C(C=C3)F |
Product Overview
BAS 04456438 (CAS 461439-53-2), with molecular formula C20H15FN2O3S and molecular weight 382.08 g/mol. IUPAC: 4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-fluorobenzoate.
Chemical Property Profile of BAS 04456438
Property Insights of BAS 04456438
The XLogP value of 4.13662 indicates that BAS 04456438 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.22 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04456438. Following Lipinski's Rule of Five, BAS 04456438 has 0 hydrogen bond donor(s) and 6 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 04456438?
The CAS number of BAS 04456438 is 461439-53-2.
What is the molecular formula of BAS 04456438?
The molecular formula of BAS 04456438 is C20H15FN2O3S.
What is the molecular weight of BAS 04456438?
The molecular weight of BAS 04456438 is 382.08 g/mol.
Where can I buy BAS 04456438?
You can request a quote for BAS 04456438 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04456438?
Yes, KEHONG BIO provides custom synthesis services for BAS 04456438 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.