BAS 00501731
TL;DR: BAS 00501731 (CAS 354540-54-8) is a chemical compound with molecular formula C23H21NO2S3 and molecular weight 439.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-methoxyphenyl)-1-(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one
Also Known As: BAS 00501731, (E)-3-(4-methoxyphenyl)-1-(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one, (2E)-3-(4-methoxyphenyl)-1-(4,4,7-trimethyl-1-thioxo(4,5-dihydro-1,2-dithiolen o[5,4-c]quinolin-5-yl))prop-2-en-1-one, (2E)-3-(4-methoxyphenyl)-1-(4,4,7-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one, (E)-3-(4-methoxyphenyl)-1-(4,4,7-trimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)prop-2-en-1-one
| Molecular Formula | C23H21NO2S3 |
|---|---|
| Molecular Weight | 439.07 g/mol |
| LogP | 6.81821 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 439.07346 |
| Heavy Atoms | 29 |
| Complexity | 1169.5787 |
Chemical Identifiers
| CAS Number | 354540-54-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C3=C(C(N2C(=O)/C=C/C4=CC=C(C=C4)OC)(C)C)SSC3=S |
Product Overview
BAS 00501731 (CAS 354540-54-8), with molecular formula C23H21NO2S3 and molecular weight 439.07 g/mol. IUPAC: (E)-3-(4-methoxyphenyl)-1-(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one.
Chemical Property Profile of BAS 00501731
Property Insights of BAS 00501731
The XLogP value of 6.81821 indicates that BAS 00501731 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 00501731 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00501731 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00501731?
The CAS number of BAS 00501731 is 354540-54-8.
What is the molecular formula of BAS 00501731?
The molecular formula of BAS 00501731 is C23H21NO2S3.
What is the molecular weight of BAS 00501731?
The molecular weight of BAS 00501731 is 439.07 g/mol.
Where can I buy BAS 00501731?
You can request a quote for BAS 00501731 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00501731?
Yes, KEHONG BIO provides custom synthesis services for BAS 00501731 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.