BAS 00096112
TL;DR: BAS 00096112 (CAS 351990-77-7) is a chemical compound with molecular formula C18H21NOS3 and molecular weight 363.08 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)hexan-1-one
Also Known As: BAS 00096112, 1-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)hexan-1-one, 1-(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)hexan-1-one, 1-(4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)hexan-1-one, 1-(4,4-dimethyl-1-thioxo-4,5-dihydro-1,2-dithioleno[5,4-c]quinolin-5-yl)hexan- 1-one
| Molecular Formula | C18H21NOS3 |
|---|---|
| Molecular Weight | 363.08 g/mol |
| LogP | 6.36809 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.07852 |
| Heavy Atoms | 23 |
| Complexity | 787.5596 |
Chemical Identifiers
| CAS Number | 351990-77-7 |
|---|---|
| SMILES | CCCCCC(=O)N1C2=CC=CC=C2C3=C(C1(C)C)SSC3=S |
Product Overview
BAS 00096112 (CAS 351990-77-7), with molecular formula C18H21NOS3 and molecular weight 363.08 g/mol. IUPAC: 1-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)hexan-1-one.
Chemical Property Profile of BAS 00096112
Property Insights of BAS 00096112
The XLogP value of 6.36809 indicates that BAS 00096112 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 00096112 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00096112 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 00096112?
The CAS number of BAS 00096112 is 351990-77-7.
What is the molecular formula of BAS 00096112?
The molecular formula of BAS 00096112 is C18H21NOS3.
What is the molecular weight of BAS 00096112?
The molecular weight of BAS 00096112 is 363.08 g/mol.
Where can I buy BAS 00096112?
You can request a quote for BAS 00096112 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00096112?
Yes, KEHONG BIO provides custom synthesis services for BAS 00096112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.