BAS 01312904
TL;DR: BAS 01312904 (CAS 337488-01-4) is a chemical compound with molecular formula C20H22N4OS and molecular weight 366.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-ethyl-16-sulfanylidenespiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13-pentaene-9,1'-cyclohexane]-11-one
Also Known As: BAS 01312904, BIM-0038223.P001, 4-ethyl-1-mercapto-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one, 4-ethyl-1-sulfanyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one, 4-ethyl-1-sulfanylspiro[4,6,7,12-tetrahydrobenzo[h]1,2,4-triazolo[4,3-a]quinaz oline-6,1'-cyclohexane]-5-one
| Molecular Formula | C20H22N4OS |
|---|---|
| Molecular Weight | 366.15 g/mol |
| LogP | 3.99849 |
| Topological Polar Surface Area | 55.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 366.15143 |
| Heavy Atoms | 26 |
| Complexity | 1130.8992 |
Chemical Identifiers
| CAS Number | 337488-01-4 |
|---|---|
| SMILES | CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N5C1=NNC5=S |
Product Overview
BAS 01312904 (CAS 337488-01-4), with molecular formula C20H22N4OS and molecular weight 366.15 g/mol. IUPAC: 12-ethyl-16-sulfanylidenespiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13-pentaene-9,1'-cyclohexane]-11-one.
Chemical Property Profile of BAS 01312904
Property Insights of BAS 01312904
The XLogP value of 3.99849 indicates that BAS 01312904 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.09 Ų, BAS 01312904 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01312904 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 01312904?
The CAS number of BAS 01312904 is 337488-01-4.
What is the molecular formula of BAS 01312904?
The molecular formula of BAS 01312904 is C20H22N4OS.
What is the molecular weight of BAS 01312904?
The molecular weight of BAS 01312904 is 366.15 g/mol.
Where can I buy BAS 01312904?
You can request a quote for BAS 01312904 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01312904?
Yes, KEHONG BIO provides custom synthesis services for BAS 01312904 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.