BAS 00351052
TL;DR: BAS 00351052 (CAS 331254-64-9) is a chemical compound with molecular formula C21H19NO3S3 and molecular weight 429.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(7-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-phenoxyethanone
Also Known As: BAS 00351052, 1-(7-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-phenoxyethanone, 1-(7-methoxy-4,4-dimethyl-1-thioxo(4,5-dihydro-1,2-dithioleno[5,4-c]quinolin-5 -yl))-2-phenoxyethan-1-one, 1-(7-methoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-phenoxyethanone, 1-(7-methoxy-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)-2-phenoxyethanone
| Molecular Formula | C21H19NO3S3 |
|---|---|
| Molecular Weight | 429.05 g/mol |
| LogP | 5.87539 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.0527 |
| Heavy Atoms | 28 |
| Complexity | 1085.7753 |
Chemical Identifiers
| CAS Number | 331254-64-9 |
|---|---|
| SMILES | CC1(C2=C(C3=C(N1C(=O)COC4=CC=CC=C4)C=C(C=C3)OC)C(=S)SS2)C |
Product Overview
BAS 00351052 (CAS 331254-64-9), with molecular formula C21H19NO3S3 and molecular weight 429.05 g/mol. IUPAC: 1-(7-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-phenoxyethanone.
Chemical Property Profile of BAS 00351052
Property Insights of BAS 00351052
The XLogP value of 5.87539 indicates that BAS 00351052 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, BAS 00351052 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00351052 has 0 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 00351052?
The CAS number of BAS 00351052 is 331254-64-9.
What is the molecular formula of BAS 00351052?
The molecular formula of BAS 00351052 is C21H19NO3S3.
What is the molecular weight of BAS 00351052?
The molecular weight of BAS 00351052 is 429.05 g/mol.
Where can I buy BAS 00351052?
You can request a quote for BAS 00351052 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00351052?
Yes, KEHONG BIO provides custom synthesis services for BAS 00351052 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.