BAS 01094998
TL;DR: BAS 01094998 (CAS 309738-54-3) is a chemical compound with molecular formula C18H19NO2S3 and molecular weight 377.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-(2,2,6-trimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-1,3-dithiole-4-carboxylate
Also Known As: BAS 01094998, BIM-0034389.P001, A2196/0092399, ethyl (2Z)-2-(2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4-carboxylate, (Z)-ethyl 2-(2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4-carboxylate
| Molecular Formula | C18H19NO2S3 |
|---|---|
| Molecular Weight | 377.06 g/mol |
| LogP | 5.12212 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 377.0578 |
| Heavy Atoms | 24 |
| Complexity | 793.4537 |
Chemical Identifiers
| CAS Number | 309738-54-3 |
|---|---|
| SMILES | CCOC(=O)C1=CS/C(=C/2\C3=C(C=CC(=C3)C)NC(C2=S)(C)C)/S1 |
Product Overview
BAS 01094998 (CAS 309738-54-3), with molecular formula C18H19NO2S3 and molecular weight 377.06 g/mol. IUPAC: ethyl (2Z)-2-(2,2,6-trimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-1,3-dithiole-4-carboxylate.
Chemical Property Profile of BAS 01094998
Property Insights of BAS 01094998
The XLogP value of 5.12212 indicates that BAS 01094998 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, BAS 01094998 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01094998 has 1 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 01094998?
The CAS number of BAS 01094998 is 309738-54-3.
What is the molecular formula of BAS 01094998?
The molecular formula of BAS 01094998 is C18H19NO2S3.
What is the molecular weight of BAS 01094998?
The molecular weight of BAS 01094998 is 377.06 g/mol.
Where can I buy BAS 01094998?
You can request a quote for BAS 01094998 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01094998?
Yes, KEHONG BIO provides custom synthesis services for BAS 01094998 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.