BAS 00268296
TL;DR: BAS 00268296 (CAS 327169-17-5) is a chemical compound with molecular formula C32H29NO6S3 and molecular weight 619.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[6-methoxy-2,2-dimethyl-1-(naphthalene-2-carbonyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
Also Known As: BAS 00268296, diethyl 2-(6-methoxy-2,2-dimethyl-1-(2-naphthoyl)-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate, diethyl 2-[6-methoxy-2,2-dimethyl-1-(naphthalene-2-carbonyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate, diethyl 2-(1-(2-naphthoyl)-6-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C32H29NO6S3 |
|---|---|
| Molecular Weight | 619.12 g/mol |
| LogP | 7.1437 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 619.1157 |
| Heavy Atoms | 42 |
| Complexity | 1675.3214 |
Chemical Identifiers
| CAS Number | 327169-17-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C2C3=C(C=CC(=C3)OC)N(C(C2=S)(C)C)C(=O)C4=CC5=CC=CC=C5C=C4)S1)C(=O)OCC |
Product Overview
BAS 00268296 (CAS 327169-17-5), with molecular formula C32H29NO6S3 and molecular weight 619.12 g/mol. IUPAC: diethyl 2-[6-methoxy-2,2-dimethyl-1-(naphthalene-2-carbonyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of BAS 00268296
Property Insights of BAS 00268296
The XLogP value of 7.1437 indicates that BAS 00268296 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.14 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00268296. Following Lipinski's Rule of Five, BAS 00268296 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00268296?
The CAS number of BAS 00268296 is 327169-17-5.
What is the molecular formula of BAS 00268296?
The molecular formula of BAS 00268296 is C32H29NO6S3.
What is the molecular weight of BAS 00268296?
The molecular weight of BAS 00268296 is 619.12 g/mol.
Where can I buy BAS 00268296?
You can request a quote for BAS 00268296 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00268296?
Yes, KEHONG BIO provides custom synthesis services for BAS 00268296 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.