BAS 01312896
TL;DR: BAS 01312896 (CAS 337487-93-1) is a chemical compound with molecular formula C24H28N4O2S and molecular weight 436.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-(2,2-dimethyloxan-4-yl)-16-sulfanylidenespiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13-pentaene-9,1'-cyclopentane]-11-one
Also Known As: BAS 01312896, AJ-292/13093119, 12-(2,2-Dimethyloxan-4-yl)-16-sulfanylidenespiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13-pentaene-9,1'-cyclopentane]-11-one, 4-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-1-mercapto-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-5(7H)-one, 4-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-1-sulfanyl-6,7-dihydrospiro(benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentane)-5(4H)-one
| Molecular Formula | C24H28N4O2S |
|---|---|
| Molecular Weight | 436.19 g/mol |
| LogP | 4.71859 |
| Topological Polar Surface Area | 64.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 436.1933 |
| Heavy Atoms | 31 |
| Complexity | 1309.3411 |
Chemical Identifiers
| CAS Number | 337487-93-1 |
|---|---|
| SMILES | CC1(CC(CCO1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N6C2=NNC6=S)C |
Product Overview
BAS 01312896 (CAS 337487-93-1), with molecular formula C24H28N4O2S and molecular weight 436.19 g/mol. IUPAC: 12-(2,2-dimethyloxan-4-yl)-16-sulfanylidenespiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13-pentaene-9,1'-cyclopentane]-11-one.
Chemical Property Profile of BAS 01312896
Property Insights of BAS 01312896
The XLogP value of 4.71859 indicates that BAS 01312896 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.32 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01312896. Following Lipinski's Rule of Five, BAS 01312896 has 1 hydrogen bond donor(s) and 4 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 01312896?
The CAS number of BAS 01312896 is 337487-93-1.
What is the molecular formula of BAS 01312896?
The molecular formula of BAS 01312896 is C24H28N4O2S.
What is the molecular weight of BAS 01312896?
The molecular weight of BAS 01312896 is 436.19 g/mol.
Where can I buy BAS 01312896?
You can request a quote for BAS 01312896 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01312896?
Yes, KEHONG BIO provides custom synthesis services for BAS 01312896 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.