BAS 00351269
TL;DR: BAS 00351269 (CAS 331254-76-3) is a chemical compound with molecular formula C16H14F3NO2S3 and molecular weight 405.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2,2,2-trifluoroethanone
Also Known As: BAS 00351269, 1-(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2,2,2-trifluoroethanone, 1-(8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2,2,2-trifluoroethanone, 1-(8-ethoxy-4,4-dimethyl-1-thioxo(4,5-dihydro-1,2-dithioleno[5,4-c]quinolin-5- yl))-2,2,2-trifluoroethan-1-one, 1-(8-Ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-2,3-dithia-5-aza-cyclopenta[a]naphthalen-5-yl)-2,2,2-trifluoro-ethanone
| Molecular Formula | C16H14F3NO2S3 |
|---|---|
| Molecular Weight | 405.01 g/mol |
| LogP | 5.74879 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 405.0139 |
| Heavy Atoms | 25 |
| Complexity | 898.7604 |
Chemical Identifiers
| CAS Number | 331254-76-3 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C(=O)C(F)(F)F |
Product Overview
BAS 00351269 (CAS 331254-76-3), with molecular formula C16H14F3NO2S3 and molecular weight 405.01 g/mol. IUPAC: 1-(8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2,2,2-trifluoroethanone.
Chemical Property Profile of BAS 00351269
Property Insights of BAS 00351269
The XLogP value of 5.74879 indicates that BAS 00351269 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, BAS 00351269 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00351269 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00351269?
The CAS number of BAS 00351269 is 331254-76-3.
What is the molecular formula of BAS 00351269?
The molecular formula of BAS 00351269 is C16H14F3NO2S3.
What is the molecular weight of BAS 00351269?
The molecular weight of BAS 00351269 is 405.01 g/mol.
Where can I buy BAS 00351269?
You can request a quote for BAS 00351269 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00351269?
Yes, KEHONG BIO provides custom synthesis services for BAS 00351269 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.