ChemDiv1_024399
TL;DR: ChemDiv1_024399 (CAS 374098-58-5) is a chemical compound with molecular formula C28H30N4O2S and molecular weight 486.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-(4-methoxyphenyl)-16-propan-2-ylsulfanylspiro[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_024399, 1-(isopropylthio)-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-(propan-2-ylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
| Molecular Formula | C28H30N4O2S |
|---|---|
| Molecular Weight | 486.21 g/mol |
| LogP | 5.8143 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 486.20895 |
| Heavy Atoms | 35 |
| Complexity | 1463.0867 |
Chemical Identifiers
| CAS Number | 374098-58-5 |
|---|---|
| SMILES | CC(C)SC1=NN=C2N1C3=C(C(=O)N2C4=CC=C(C=C4)OC)C5(CCCCC5)CC6=CC=CC=C63 |
Product Overview
ChemDiv1_024399 (CAS 374098-58-5), with molecular formula C28H30N4O2S and molecular weight 486.21 g/mol. IUPAC: 12-(4-methoxyphenyl)-16-propan-2-ylsulfanylspiro[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_024399
Property Insights of ChemDiv1_024399
The XLogP value of 5.8143 indicates that ChemDiv1_024399 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_024399. Following Lipinski's Rule of Five, ChemDiv1_024399 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_024399?
The CAS number of ChemDiv1_024399 is 374098-58-5.
What is the molecular formula of ChemDiv1_024399?
The molecular formula of ChemDiv1_024399 is C28H30N4O2S.
What is the molecular weight of ChemDiv1_024399?
The molecular weight of ChemDiv1_024399 is 486.21 g/mol.
Where can I buy ChemDiv1_024399?
You can request a quote for ChemDiv1_024399 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_024399?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_024399 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.