BAS 06576004
TL;DR: BAS 06576004 (CAS 650593-04-7) is a chemical compound with molecular formula C17H18N4OS and molecular weight 326.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone
Also Known As: BAS 06576004, 2-(3-methyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)-1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethanone, 2-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone, AJ-292/42032041, 1-(3,4-dihydro-1H-carbazol-9(2H)-yl)-2-(3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)ethanone
| Molecular Formula | C17H18N4OS |
|---|---|
| Molecular Weight | 326.12 g/mol |
| LogP | 3.42301 |
| Topological Polar Surface Area | 55.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.12012 |
| Heavy Atoms | 23 |
| Complexity | 962.7827 |
Chemical Identifiers
| CAS Number | 650593-04-7 |
|---|---|
| SMILES | CC1=NNC(=S)N1CC(=O)N2C3=C(CCCC3)C4=CC=CC=C42 |
Product Overview
BAS 06576004 (CAS 650593-04-7), with molecular formula C17H18N4OS and molecular weight 326.12 g/mol. IUPAC: 2-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone.
Chemical Property Profile of BAS 06576004
Property Insights of BAS 06576004
The XLogP value of 3.42301 indicates that BAS 06576004 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.61 Ų, BAS 06576004 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 06576004 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 06576004?
The CAS number of BAS 06576004 is 650593-04-7.
What is the molecular formula of BAS 06576004?
The molecular formula of BAS 06576004 is C17H18N4OS.
What is the molecular weight of BAS 06576004?
The molecular weight of BAS 06576004 is 326.12 g/mol.
Where can I buy BAS 06576004?
You can request a quote for BAS 06576004 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06576004?
Yes, KEHONG BIO provides custom synthesis services for BAS 06576004 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.