BAS 00721944
TL;DR: BAS 00721944 (CAS 331973-64-9) is a chemical compound with molecular formula C16H15NO2S3 and molecular weight 349.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(7-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one
Also Known As: BAS 00721944, 1-(7-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one, 1-(7-methoxy-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)prop-2-en-1-one, 1-(7-methoxy-4,4-dimethyl-1-thioxo-4,5-dihydro-1,2-dithioleno[5,4-c]quinolin-5 -yl)prop-2-en-1-one
| Molecular Formula | C16H15NO2S3 |
|---|---|
| Molecular Weight | 349.03 g/mol |
| LogP | 4.98239 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.0265 |
| Heavy Atoms | 22 |
| Complexity | 832.15674 |
Chemical Identifiers
| CAS Number | 331973-64-9 |
|---|---|
| SMILES | CC1(C2=C(C3=C(N1C(=O)C=C)C=C(C=C3)OC)C(=S)SS2)C |
Product Overview
BAS 00721944 (CAS 331973-64-9), with molecular formula C16H15NO2S3 and molecular weight 349.03 g/mol. IUPAC: 1-(7-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one.
Chemical Property Profile of BAS 00721944
Property Insights of BAS 00721944
The XLogP value of 4.98239 indicates that BAS 00721944 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, BAS 00721944 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00721944 has 0 hydrogen bond donor(s) and 5 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 00721944?
The CAS number of BAS 00721944 is 331973-64-9.
What is the molecular formula of BAS 00721944?
The molecular formula of BAS 00721944 is C16H15NO2S3.
What is the molecular weight of BAS 00721944?
The molecular weight of BAS 00721944 is 349.03 g/mol.
Where can I buy BAS 00721944?
You can request a quote for BAS 00721944 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00721944?
Yes, KEHONG BIO provides custom synthesis services for BAS 00721944 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.