ChemDiv1_024577
TL;DR: ChemDiv1_024577 (CAS 373369-48-3) is a chemical compound with molecular formula C26H26N4O2S and molecular weight 458.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-(4-methoxyphenyl)-16-methylsulfanylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one
Also Known As: ChemDiv1_024577, 4-(4-methoxyphenyl)-1-(methylthio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one, 4-(4-methoxyphenyl)-1-(methylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
| Molecular Formula | C26H26N4O2S |
|---|---|
| Molecular Weight | 458.18 g/mol |
| LogP | 5.0357 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 458.17764 |
| Heavy Atoms | 33 |
| Complexity | 1414.9989 |
Chemical Identifiers
| CAS Number | 373369-48-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NN=C6SC |
Product Overview
ChemDiv1_024577 (CAS 373369-48-3), with molecular formula C26H26N4O2S and molecular weight 458.18 g/mol. IUPAC: 12-(4-methoxyphenyl)-16-methylsulfanylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one.
Chemical Property Profile of ChemDiv1_024577
Property Insights of ChemDiv1_024577
The XLogP value of 5.0357 indicates that ChemDiv1_024577 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.42 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_024577. Following Lipinski's Rule of Five, ChemDiv1_024577 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_024577?
The CAS number of ChemDiv1_024577 is 373369-48-3.
What is the molecular formula of ChemDiv1_024577?
The molecular formula of ChemDiv1_024577 is C26H26N4O2S.
What is the molecular weight of ChemDiv1_024577?
The molecular weight of ChemDiv1_024577 is 458.18 g/mol.
Where can I buy ChemDiv1_024577?
You can request a quote for ChemDiv1_024577 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_024577?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_024577 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.