BAS 01312895
TL;DR: BAS 01312895 (CAS 337487-91-9) is a chemical compound with molecular formula C25H24N4O2S and molecular weight 444.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-(4-methoxyphenyl)-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 01312895, BIM-0038243.P001, AJ-292/13093117, 1-mercapto-4-(4-methoxyphenyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one, 4-(4-Methoxyphenyl)-1-sulfanylidene-2,4-dihydro-1H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
| Molecular Formula | C25H24N4O2S |
|---|---|
| Molecular Weight | 444.16 g/mol |
| LogP | 4.97639 |
| Topological Polar Surface Area | 64.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 444.162 |
| Heavy Atoms | 32 |
| Complexity | 1456.3164 |
Chemical Identifiers
| CAS Number | 337487-91-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NNC6=S |
Product Overview
BAS 01312895 (CAS 337487-91-9), with molecular formula C25H24N4O2S and molecular weight 444.16 g/mol. IUPAC: 12-(4-methoxyphenyl)-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 01312895
Property Insights of BAS 01312895
The XLogP value of 4.97639 indicates that BAS 01312895 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 01312895. Following Lipinski's Rule of Five, BAS 01312895 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 01312895?
The CAS number of BAS 01312895 is 337487-91-9.
What is the molecular formula of BAS 01312895?
The molecular formula of BAS 01312895 is C25H24N4O2S.
What is the molecular weight of BAS 01312895?
The molecular weight of BAS 01312895 is 444.16 g/mol.
Where can I buy BAS 01312895?
You can request a quote for BAS 01312895 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01312895?
Yes, KEHONG BIO provides custom synthesis services for BAS 01312895 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.