BAS 00126830
TL;DR: BAS 00126830 (CAS 296272-24-7) is a chemical compound with molecular formula C21H18INO2S3 and molecular weight 538.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(2-iodophenyl)methanone
Also Known As: BAS 00126830, UPCMLD0ENAT0400-0597:001, 8-ethoxy-5-(2-iodobenzoyl)-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione, (8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(2-iodophenyl)methanone, (8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(2-iodophenyl)methanone
| Molecular Formula | C21H18INO2S3 |
|---|---|
| Molecular Weight | 538.95 g/mol |
| LogP | 7.10489 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 538.95447 |
| Heavy Atoms | 28 |
| Complexity | 1132.6746 |
Chemical Identifiers
| CAS Number | 296272-24-7 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C(=O)C4=CC=CC=C4I |
Product Overview
BAS 00126830 (CAS 296272-24-7), with molecular formula C21H18INO2S3 and molecular weight 538.95 g/mol. IUPAC: (8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(2-iodophenyl)methanone.
Chemical Property Profile of BAS 00126830
Property Insights of BAS 00126830
The XLogP value of 7.10489 indicates that BAS 00126830 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 00126830 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00126830 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 00126830?
The CAS number of BAS 00126830 is 296272-24-7.
What is the molecular formula of BAS 00126830?
The molecular formula of BAS 00126830 is C21H18INO2S3.
What is the molecular weight of BAS 00126830?
The molecular weight of BAS 00126830 is 538.95 g/mol.
Where can I buy BAS 00126830?
You can request a quote for BAS 00126830 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00126830?
Yes, KEHONG BIO provides custom synthesis services for BAS 00126830 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.