BAS 01312889
TL;DR: BAS 01312889 (CAS 337487-85-1) is a chemical compound with molecular formula C25H30N4O2S and molecular weight 450.21 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'-cyclohexane]-11-one
Also Known As: BAS 01312889, AJ-292/13093118, 4-(2,2-dimethyl(2H-3,4,5,6-tetrahydropyran-4-yl))-1-sulfanylspiro[4,6,7,12-tet rahydrobenzo[h]1,2,4-triazolo[4,3-a]quinazoline-6,1'-cyclohexane]-5-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'-cyclohexan]-5(7H)-one, 4-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-1-sulfanyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
| Molecular Formula | C25H30N4O2S |
|---|---|
| Molecular Weight | 450.21 g/mol |
| LogP | 5.10869 |
| Topological Polar Surface Area | 64.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 450.20895 |
| Heavy Atoms | 32 |
| Complexity | 1325.9409 |
Chemical Identifiers
| CAS Number | 337487-85-1 |
|---|---|
| SMILES | CC1(CC(CCO1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NNC6=S)C |
Product Overview
BAS 01312889 (CAS 337487-85-1), with molecular formula C25H30N4O2S and molecular weight 450.21 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'-cyclohexane]-11-one.
Chemical Property Profile of BAS 01312889
Property Insights of BAS 01312889
The XLogP value of 5.10869 indicates that BAS 01312889 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 01312889. Following Lipinski's Rule of Five, BAS 01312889 has 1 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 01312889?
The CAS number of BAS 01312889 is 337487-85-1.
What is the molecular formula of BAS 01312889?
The molecular formula of BAS 01312889 is C25H30N4O2S.
What is the molecular weight of BAS 01312889?
The molecular weight of BAS 01312889 is 450.21 g/mol.
Where can I buy BAS 01312889?
You can request a quote for BAS 01312889 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01312889?
Yes, KEHONG BIO provides custom synthesis services for BAS 01312889 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.