BAS 01045398
TL;DR: BAS 01045398 (CAS 371935-33-0) is a chemical compound with molecular formula C15H17F3N4OS2 and molecular weight 390.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(3-ethylsulfanylpropyl)-1,3,4-thiadiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]urea
Also Known As: BAS 01045398, 1-(5-(3-(ethylthio)propyl)-1,3,4-thiadiazol-2-yl)-3-(3-(trifluoromethyl)phenyl)urea, 1-[5-(3-ethylsulfanylpropyl)-1,3,4-thiadiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]urea, 1-[(2Z)-5-[3-(ethylsulfanyl)propyl]-1,3,4-thiadiazol-2(3H)-ylidene]-3-[3-(trifluoromethyl)phenyl]urea
| Molecular Formula | C15H17F3N4OS2 |
|---|---|
| Molecular Weight | 390.08 g/mol |
| LogP | 4.8866 |
| Topological Polar Surface Area | 66.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 390.0796 |
| Heavy Atoms | 25 |
| Complexity | 706.0801 |
Chemical Identifiers
| CAS Number | 371935-33-0 |
|---|---|
| SMILES | CCSCCCC1=NN=C(S1)NC(=O)NC2=CC=CC(=C2)C(F)(F)F |
Product Overview
BAS 01045398 (CAS 371935-33-0), with molecular formula C15H17F3N4OS2 and molecular weight 390.08 g/mol. IUPAC: 1-[5-(3-ethylsulfanylpropyl)-1,3,4-thiadiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of BAS 01045398
Property Insights of BAS 01045398
The XLogP value of 4.8866 indicates that BAS 01045398 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01045398. Following Lipinski's Rule of Five, BAS 01045398 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 01045398?
The CAS number of BAS 01045398 is 371935-33-0.
What is the molecular formula of BAS 01045398?
The molecular formula of BAS 01045398 is C15H17F3N4OS2.
What is the molecular weight of BAS 01045398?
The molecular weight of BAS 01045398 is 390.08 g/mol.
Where can I buy BAS 01045398?
You can request a quote for BAS 01045398 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01045398?
Yes, KEHONG BIO provides custom synthesis services for BAS 01045398 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.