BAS 01306853
TL;DR: BAS 01306853 (CAS 337484-53-4) is a chemical compound with molecular formula C23H21NO2S3 and molecular weight 439.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2Z)-2-(6-methoxy-2,2-dimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-5-phenyl-1,3-dithiol-4-yl]ethanone
Also Known As: BAS 01306853, L-Tyrosine, 3,5-dibromo-, hydrochloride, BIM-0039095.P001, Tyrosine, 3,5-dibromo-, hydrochloride, L-, 1-[(2Z)-2-(6-methoxy-2,2-dimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-5-phenyl-1,3-dithiol-4-yl]ethanone
| Molecular Formula | C23H21NO2S3 |
|---|---|
| Molecular Weight | 439.07 g/mol |
| LogP | 6.3756 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 439.07346 |
| Heavy Atoms | 29 |
| Complexity | 1084.5568 |
Chemical Identifiers
| CAS Number | 337484-53-4 |
|---|---|
| SMILES | CC(=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 01306853 (CAS 337484-53-4), with molecular formula C23H21NO2S3 and molecular weight 439.07 g/mol. IUPAC: 1-[(2Z)-2-(6-methoxy-2,2-dimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-5-phenyl-1,3-dithiol-4-yl]ethanone.
Chemical Property Profile of BAS 01306853
Property Insights of BAS 01306853
The XLogP value of 6.3756 indicates that BAS 01306853 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 01306853 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01306853 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 01306853?
The CAS number of BAS 01306853 is 337484-53-4.
What is the molecular formula of BAS 01306853?
The molecular formula of BAS 01306853 is C23H21NO2S3.
What is the molecular weight of BAS 01306853?
The molecular weight of BAS 01306853 is 439.07 g/mol.
Where can I buy BAS 01306853?
You can request a quote for BAS 01306853 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01306853?
Yes, KEHONG BIO provides custom synthesis services for BAS 01306853 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.