BAS 00802165
TL;DR: BAS 00802165 (CAS 328070-95-7) is a chemical compound with molecular formula C23H21NO3S3 and molecular weight 455.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3,4-dimethoxyphenyl)-1-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one
Also Known As: BAS 00802165, (E)-3-(3,4-dimethoxyphenyl)-1-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one, 5-[3-(3,4-dimethoxyphenyl)acryloyl]-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione, (2E)-3-(3,4-dimethoxyphenyl)-1-(4,4-dimethyl-1-thioxo(4,5-dihydro-1,2-dithiole no[5,4-c]quinolin-5-yl))prop-2-en-1-one, (2E)-3-(3,4-dimethoxyphenyl)-1-(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one
| Molecular Formula | C23H21NO3S3 |
|---|---|
| Molecular Weight | 455.07 g/mol |
| LogP | 6.51839 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 455.06836 |
| Heavy Atoms | 30 |
| Complexity | 1206.3976 |
Chemical Identifiers
| CAS Number | 328070-95-7 |
|---|---|
| SMILES | CC1(C2=C(C3=CC=CC=C3N1C(=O)/C=C/C4=CC(=C(C=C4)OC)OC)C(=S)SS2)C |
Product Overview
BAS 00802165 (CAS 328070-95-7), with molecular formula C23H21NO3S3 and molecular weight 455.07 g/mol. IUPAC: (E)-3-(3,4-dimethoxyphenyl)-1-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one.
Chemical Property Profile of BAS 00802165
Property Insights of BAS 00802165
The XLogP value of 6.51839 indicates that BAS 00802165 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, BAS 00802165 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00802165 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00802165?
The CAS number of BAS 00802165 is 328070-95-7.
What is the molecular formula of BAS 00802165?
The molecular formula of BAS 00802165 is C23H21NO3S3.
What is the molecular weight of BAS 00802165?
The molecular weight of BAS 00802165 is 455.07 g/mol.
Where can I buy BAS 00802165?
You can request a quote for BAS 00802165 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00802165?
Yes, KEHONG BIO provides custom synthesis services for BAS 00802165 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.