BAS 00458914
TL;DR: BAS 00458914 (CAS 317844-61-4) is a chemical compound with molecular formula C24H23NO3S3 and molecular weight 469.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-(6-methoxy-2,2-dimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate
Also Known As: BAS 00458914, (Z)-ethyl 2-(6-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate, ethyl (2Z)-2-(6-methoxy-2,2-dimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate, ethyl (2Z)-2-(6-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate
| Molecular Formula | C24H23NO3S3 |
|---|---|
| Molecular Weight | 469.08 g/mol |
| LogP | 6.3497 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 469.084 |
| Heavy Atoms | 31 |
| Complexity | 1120.1444 |
Chemical Identifiers
| CAS Number | 317844-61-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(S/C(=C/2\C3=C(C=CC(=C3)OC)NC(C2=S)(C)C)/S1)C4=CC=CC=C4 |
Product Overview
BAS 00458914 (CAS 317844-61-4), with molecular formula C24H23NO3S3 and molecular weight 469.08 g/mol. IUPAC: ethyl (2Z)-2-(6-methoxy-2,2-dimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate.
Chemical Property Profile of BAS 00458914
Property Insights of BAS 00458914
The XLogP value of 6.3497 indicates that BAS 00458914 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, BAS 00458914 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00458914 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00458914?
The CAS number of BAS 00458914 is 317844-61-4.
What is the molecular formula of BAS 00458914?
The molecular formula of BAS 00458914 is C24H23NO3S3.
What is the molecular weight of BAS 00458914?
The molecular weight of BAS 00458914 is 469.08 g/mol.
Where can I buy BAS 00458914?
You can request a quote for BAS 00458914 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00458914?
Yes, KEHONG BIO provides custom synthesis services for BAS 00458914 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.