BAS 01174059
TL;DR: BAS 01174059 (CAS 330830-13-2) is a chemical compound with molecular formula C18H17N3OS5 and molecular weight 451.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone
Also Known As: BAS 01174059, 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4,4,8-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone, 2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)-1-(4,4,8-trimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)ethanone, 2-(5-methyl(1,3,4-thiadiazol-2-ylthio))-1-(4,4,8-trimethyl-1-thioxo(4,5-dihydr o-1,2-dithioleno[5,4-c]quinolin-5-yl))ethan-1-one, 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone
| Molecular Formula | C18H17N3OS5 |
|---|---|
| Molecular Weight | 451.00 g/mol |
| LogP | 6.04843 |
| Topological Polar Surface Area | 46.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 450.99753 |
| Heavy Atoms | 27 |
| Complexity | 1094.6099 |
Chemical Identifiers
| CAS Number | 330830-13-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C(=O)CSC4=NN=C(S4)C |
Product Overview
BAS 01174059 (CAS 330830-13-2), with molecular formula C18H17N3OS5 and molecular weight 451.00 g/mol. IUPAC: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone.
Chemical Property Profile of BAS 01174059
Property Insights of BAS 01174059
The XLogP value of 6.04843 indicates that BAS 01174059 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.09 Ų, BAS 01174059 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01174059 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01174059?
The CAS number of BAS 01174059 is 330830-13-2.
What is the molecular formula of BAS 01174059?
The molecular formula of BAS 01174059 is C18H17N3OS5.
What is the molecular weight of BAS 01174059?
The molecular weight of BAS 01174059 is 451.00 g/mol.
Where can I buy BAS 01174059?
You can request a quote for BAS 01174059 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01174059?
Yes, KEHONG BIO provides custom synthesis services for BAS 01174059 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.