BAS 02232554
TL;DR: BAS 02232554 (CAS 330830-61-0) 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-(2,2,7-trimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-1,3-dithiole-4-carboxylate
Also Known As: BAS 02232554, BIM-0002999.P001, ethyl (2Z)-2-(2,2,7-trimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-1,3-dithiole-4-carboxylate, (Z)-ethyl 2-(2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4-carboxylate, ethyl (2Z)-2-(2,2,7-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 | 330830-61-0 |
|---|---|
| SMILES | CCOC(=O)C1=CS/C(=C/2\C3=C(C=C(C=C3)C)NC(C2=S)(C)C)/S1 |
Product Overview
BAS 02232554 (CAS 330830-61-0), with molecular formula C18H19NO2S3 and molecular weight 377.06 g/mol. IUPAC: ethyl (2Z)-2-(2,2,7-trimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-1,3-dithiole-4-carboxylate.
Chemical Property Profile of BAS 02232554
Property Insights of BAS 02232554
The XLogP value of 5.12212 indicates that BAS 02232554 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 02232554 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02232554 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 02232554?
The CAS number of BAS 02232554 is 330830-61-0.
What is the molecular formula of BAS 02232554?
The molecular formula of BAS 02232554 is C18H19NO2S3.
What is the molecular weight of BAS 02232554?
The molecular weight of BAS 02232554 is 377.06 g/mol.
Where can I buy BAS 02232554?
You can request a quote for BAS 02232554 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02232554?
Yes, KEHONG BIO provides custom synthesis services for BAS 02232554 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.