AB00075945-01
TL;DR: AB00075945-01 (CAS 221001-97-4) 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-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone
Also Known As: AB00075945-01, 1-(4,4,8-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone, 1-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone, 1-(4,4,8-trimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)ethanone, 1-(TRIMETHYL-1-THIOXO-2,3-DITHIA-5-AZA-CYCLOPENTA(A)NAPHTHALEN-5-YL)-ETHANONE
| Molecular Formula | C15H15NOS3 |
|---|---|
| Molecular Weight | 321.03 g/mol |
| LogP | 5.11611 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 321.0316 |
| Heavy Atoms | 20 |
| Complexity | 769.6661 |
Chemical Identifiers
| CAS Number | 221001-97-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C(=O)C |
Product Overview
AB00075945-01 (CAS 221001-97-4), with molecular formula C15H15NOS3 and molecular weight 321.03 g/mol. IUPAC: 1-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone.
Chemical Property Profile of AB00075945-01
Property Insights of AB00075945-01
The XLogP value of 5.11611 indicates that AB00075945-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, AB00075945-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00075945-01 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 AB00075945-01?
The CAS number of AB00075945-01 is 221001-97-4.
What is the molecular formula of AB00075945-01?
The molecular formula of AB00075945-01 is C15H15NOS3.
What is the molecular weight of AB00075945-01?
The molecular weight of AB00075945-01 is 321.03 g/mol.
Where can I buy AB00075945-01?
You can request a quote for AB00075945-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00075945-01?
Yes, KEHONG BIO provides custom synthesis services for AB00075945-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.