BAS 00351142
TL;DR: BAS 00351142 (CAS 221001-87-2) is a chemical compound with molecular formula C15H15NOS3 and molecular weight 321.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)propan-1-one
Also Known As: BAS 00351142, 1-(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-1-propanone, 1-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)propan-1-one, 1-(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)propan-1-one, 1-(4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)propan-1-one
| Molecular Formula | C15H15NOS3 |
|---|---|
| Molecular Weight | 321.03 g/mol |
| LogP | 5.19779 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 321.0316 |
| Heavy Atoms | 20 |
| Complexity | 741.5721 |
Chemical Identifiers
| CAS Number | 221001-87-2 |
|---|---|
| SMILES | CCC(=O)N1C2=CC=CC=C2C3=C(C1(C)C)SSC3=S |
Product Overview
BAS 00351142 (CAS 221001-87-2), with molecular formula C15H15NOS3 and molecular weight 321.03 g/mol. IUPAC: 1-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)propan-1-one.
Chemical Property Profile of BAS 00351142
Property Insights of BAS 00351142
The XLogP value of 5.19779 indicates that BAS 00351142 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, BAS 00351142 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00351142 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00351142?
The CAS number of BAS 00351142 is 221001-87-2.
What is the molecular formula of BAS 00351142?
The molecular formula of BAS 00351142 is C15H15NOS3.
What is the molecular weight of BAS 00351142?
The molecular weight of BAS 00351142 is 321.03 g/mol.
Where can I buy BAS 00351142?
You can request a quote for BAS 00351142 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00351142?
Yes, KEHONG BIO provides custom synthesis services for BAS 00351142 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.