BAS 00666304
TL;DR: BAS 00666304 (CAS 325850-76-8) is a chemical compound with molecular formula C19H13FN2OS and molecular weight 336.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-fluorophenyl)-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one
Also Known As: BAS 00666304, (E)-3-(4-fluorophenyl)-1-(2-(prop-2-yn-1-ylthio)-1H-benzo[d]imidazol-1-yl)prop-2-en-1-one, F0223-0083, (E)-3-(4-fluorophenyl)-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one, (2E)-3-(4-fluorophenyl)-1-[2-(prop-2-yn-1-ylsulfanyl)-1H-1,3-benzodiazol-1-yl]prop-2-en-1-one
| Molecular Formula | C19H13FN2OS |
|---|---|
| Molecular Weight | 336.07 g/mol |
| LogP | 4.2543 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.07327 |
| Heavy Atoms | 24 |
| Complexity | 951.6524 |
Chemical Identifiers
| CAS Number | 325850-76-8 |
|---|---|
| SMILES | C#CCSC1=NC2=CC=CC=C2N1C(=O)/C=C/C3=CC=C(C=C3)F |
Product Overview
BAS 00666304 (CAS 325850-76-8), with molecular formula C19H13FN2OS and molecular weight 336.07 g/mol. IUPAC: (E)-3-(4-fluorophenyl)-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one.
Chemical Property Profile of BAS 00666304
Property Insights of BAS 00666304
The XLogP value of 4.2543 indicates that BAS 00666304 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, BAS 00666304 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00666304 has 0 hydrogen bond donor(s) and 3 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 00666304?
The CAS number of BAS 00666304 is 325850-76-8.
What is the molecular formula of BAS 00666304?
The molecular formula of BAS 00666304 is C19H13FN2OS.
What is the molecular weight of BAS 00666304?
The molecular weight of BAS 00666304 is 336.07 g/mol.
Where can I buy BAS 00666304?
You can request a quote for BAS 00666304 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00666304?
Yes, KEHONG BIO provides custom synthesis services for BAS 00666304 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.