BAS 00108061
TL;DR: BAS 00108061 (CAS 300801-97-2) is a chemical compound with molecular formula C20H16BrNO2S3 and molecular weight 476.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromophenyl)-(8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone
Also Known As: BAS 00108061, UPCMLD0ENAT0400-0626:001, 5-(2-bromobenzoyl)-8-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione, (2-bromophenyl)-(8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone, (2-bromophenyl)(8-methoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone
| Molecular Formula | C20H16BrNO2S3 |
|---|---|
| Molecular Weight | 476.95 g/mol |
| LogP | 6.87269 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 476.95264 |
| Heavy Atoms | 27 |
| Complexity | 1116.4098 |
Chemical Identifiers
| CAS Number | 300801-97-2 |
|---|---|
| SMILES | CC1(C2=C(C3=C(N1C(=O)C4=CC=CC=C4Br)C=CC(=C3)OC)C(=S)SS2)C |
Product Overview
BAS 00108061 (CAS 300801-97-2), with molecular formula C20H16BrNO2S3 and molecular weight 476.95 g/mol. IUPAC: (2-bromophenyl)-(8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone.
Chemical Property Profile of BAS 00108061
Property Insights of BAS 00108061
The XLogP value of 6.87269 indicates that BAS 00108061 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, BAS 00108061 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00108061 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00108061?
The CAS number of BAS 00108061 is 300801-97-2.
What is the molecular formula of BAS 00108061?
The molecular formula of BAS 00108061 is C20H16BrNO2S3.
What is the molecular weight of BAS 00108061?
The molecular weight of BAS 00108061 is 476.95 g/mol.
Where can I buy BAS 00108061?
You can request a quote for BAS 00108061 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00108061?
Yes, KEHONG BIO provides custom synthesis services for BAS 00108061 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.