BAS 00721940
TL;DR: BAS 00721940 (CAS 297149-64-5) is a chemical compound with molecular formula C16H15NOS3 and molecular weight 333.03 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)prop-2-en-1-one
Also Known As: BAS 00721940, 1-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one, 1-(4,4,8-trimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)prop-2-en-1-one, 1-(4,4,8-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one, 1-(4,4,8-trimethyl-1-thioxo-4,5-dihydro-1,2-dithioleno[5,4-c]quinolin-5-yl)pro p-2-en-1-one
| Molecular Formula | C16H15NOS3 |
|---|---|
| Molecular Weight | 333.03 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 333.0316 |
| Heavy Atoms | 21 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 297149-64-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C(=O)C=C |
| InChIKey | OGXUUWABVBUFEA-UHFFFAOYSA-N |
Product Overview
BAS 00721940 (CAS 297149-64-5), with molecular formula C16H15NOS3 and molecular weight 333.03 g/mol. IUPAC: 1-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one.
Chemical Property Profile of BAS 00721940
Property Insights of BAS 00721940
The XLogP value of 3.3 indicates that BAS 00721940 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00721940. Following Lipinski's Rule of Five, BAS 00721940 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00721940?
The CAS number of BAS 00721940 is 297149-64-5.
What is the molecular formula of BAS 00721940?
The molecular formula of BAS 00721940 is C16H15NOS3.
What is the molecular weight of BAS 00721940?
The molecular weight of BAS 00721940 is 333.03 g/mol.
Where can I buy BAS 00721940?
You can request a quote for BAS 00721940 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00721940?
Yes, KEHONG BIO provides custom synthesis services for BAS 00721940 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.