BAS 05599431
TL;DR: BAS 05599431 (CAS 599153-30-7) is a chemical compound with molecular formula C13H11ClF3N3O2S and molecular weight 365.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenoxy)-2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
Also Known As: BAS 05599431, 2-(4-chlorophenoxy)-2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide, 2-(4-chlorophenoxy)-2-methyl-N-[5-(trifluoromethyl)(1,3,4-thiadiazol-2-yl)]pro panamide
| Molecular Formula | C13H11ClF3N3O2S |
|---|---|
| Molecular Weight | 365.02 g/mol |
| LogP | 4.0064 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 365.02127 |
| Heavy Atoms | 23 |
| Complexity | 701.2355 |
Chemical Identifiers
| CAS Number | 599153-30-7 |
|---|---|
| SMILES | CC(C)(C(=O)NC1=NN=C(S1)C(F)(F)F)OC2=CC=C(C=C2)Cl |
Product Overview
BAS 05599431 (CAS 599153-30-7), with molecular formula C13H11ClF3N3O2S and molecular weight 365.02 g/mol. IUPAC: 2-(4-chlorophenoxy)-2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide.
Chemical Property Profile of BAS 05599431
Property Insights of BAS 05599431
The XLogP value of 4.0064 indicates that BAS 05599431 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05599431. Following Lipinski's Rule of Five, BAS 05599431 has 1 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 05599431?
The CAS number of BAS 05599431 is 599153-30-7.
What is the molecular formula of BAS 05599431?
The molecular formula of BAS 05599431 is C13H11ClF3N3O2S.
What is the molecular weight of BAS 05599431?
The molecular weight of BAS 05599431 is 365.02 g/mol.
Where can I buy BAS 05599431?
You can request a quote for BAS 05599431 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05599431?
Yes, KEHONG BIO provides custom synthesis services for BAS 05599431 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.