BAS 00108068
TL;DR: BAS 00108068 (CAS 300802-01-1) is a chemical compound with molecular formula C24H25NOS3 and molecular weight 439.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylphenyl)-(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone
Also Known As: BAS 00108068, (4-tert-butylphenyl)(4,4,7-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone, (4-(tert-butyl)phenyl)(4,4,7-trimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)methanone, (4-tert-butylphenyl)-(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone, 5-(4-TERT-BUTYLBENZOYL)-4,4,7-TRIMETHYL-1H,4H,5H-[1,2]DITHIOLO[3,4-C]QUINOLINE-1-THIONE
| Molecular Formula | C24H25NOS3 |
|---|---|
| Molecular Weight | 439.11 g/mol |
| LogP | 7.70751 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 439.10983 |
| Heavy Atoms | 29 |
| Complexity | 1160.0718 |
Chemical Identifiers
| CAS Number | 300802-01-1 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C3=C(C(N2C(=O)C4=CC=C(C=C4)C(C)(C)C)(C)C)SSC3=S |
Product Overview
BAS 00108068 (CAS 300802-01-1), with molecular formula C24H25NOS3 and molecular weight 439.11 g/mol. IUPAC: (4-tert-butylphenyl)-(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone.
Chemical Property Profile of BAS 00108068
Property Insights of BAS 00108068
The XLogP value of 7.70751 indicates that BAS 00108068 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, BAS 00108068 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00108068 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00108068?
The CAS number of BAS 00108068 is 300802-01-1.
What is the molecular formula of BAS 00108068?
The molecular formula of BAS 00108068 is C24H25NOS3.
What is the molecular weight of BAS 00108068?
The molecular weight of BAS 00108068 is 439.11 g/mol.
Where can I buy BAS 00108068?
You can request a quote for BAS 00108068 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00108068?
Yes, KEHONG BIO provides custom synthesis services for BAS 00108068 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.