BAS 00315534
TL;DR: BAS 00315534 (CAS 307339-97-5) is a chemical compound with molecular formula C25H20N2O7S3 and molecular weight 556.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[2,2-dimethyl-1-(3-nitrobenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
Also Known As: BAS 00315534, UPCMLD0ENAT0501-8180:001, dimethyl 2-(1-{3-nitrobenzoyl}-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-[2,2-dimethyl-1-(3-nitrobenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-(2,2-dimethyl-1-(3-nitrobenzoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C25H20N2O7S3 |
|---|---|
| Molecular Weight | 556.04 g/mol |
| LogP | 5.1099 |
| Topological Polar Surface Area | 116.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 556.0433 |
| Heavy Atoms | 37 |
| Complexity | 1415.2638 |
Chemical Identifiers
| CAS Number | 307339-97-5 |
|---|---|
| SMILES | CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=CC=CC=C3N1C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C |
Product Overview
BAS 00315534 (CAS 307339-97-5), with molecular formula C25H20N2O7S3 and molecular weight 556.04 g/mol. IUPAC: dimethyl 2-[2,2-dimethyl-1-(3-nitrobenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of BAS 00315534
Property Insights of BAS 00315534
The XLogP value of 5.1099 indicates that BAS 00315534 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.05 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00315534. Following Lipinski's Rule of Five, BAS 00315534 has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00315534?
The CAS number of BAS 00315534 is 307339-97-5.
What is the molecular formula of BAS 00315534?
The molecular formula of BAS 00315534 is C25H20N2O7S3.
What is the molecular weight of BAS 00315534?
The molecular weight of BAS 00315534 is 556.04 g/mol.
Where can I buy BAS 00315534?
You can request a quote for BAS 00315534 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00315534?
Yes, KEHONG BIO provides custom synthesis services for BAS 00315534 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.