BAS 00108006
TL;DR: BAS 00108006 (CAS 258267-13-9) is a chemical compound with molecular formula C19H19NO5S3 and molecular weight 437.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(6-methoxy-2,2-dimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
Also Known As: BAS 00108006, AE-848/32612001, dimethyl 2-(6-methoxy-2,2-dimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-(6-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate, 4,5-dimethyl 2-(6-methoxy-2,2-dimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C19H19NO5S3 |
|---|---|
| Molecular Weight | 437.04 g/mol |
| LogP | 3.9754 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 437.04254 |
| Heavy Atoms | 28 |
| Complexity | 918.8875 |
Chemical Identifiers
| CAS Number | 258267-13-9 |
|---|---|
| SMILES | CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1)C=CC(=C3)OC)C |
Product Overview
BAS 00108006 (CAS 258267-13-9), with molecular formula C19H19NO5S3 and molecular weight 437.04 g/mol. IUPAC: dimethyl 2-(6-methoxy-2,2-dimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of BAS 00108006
Property Insights of BAS 00108006
The XLogP value of 3.9754 indicates that BAS 00108006 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00108006. Following Lipinski's Rule of Five, BAS 00108006 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00108006?
The CAS number of BAS 00108006 is 258267-13-9.
What is the molecular formula of BAS 00108006?
The molecular formula of BAS 00108006 is C19H19NO5S3.
What is the molecular weight of BAS 00108006?
The molecular weight of BAS 00108006 is 437.04 g/mol.
Where can I buy BAS 00108006?
You can request a quote for BAS 00108006 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00108006?
Yes, KEHONG BIO provides custom synthesis services for BAS 00108006 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.