ChemDiv1_009419
TL;DR: ChemDiv1_009419 (CAS 374090-77-4) is a chemical compound with molecular formula C27H27N5O2S and molecular weight 485.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[12-(3-methylphenyl)-11-oxospiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-16-yl]sulfanylacetamide
Also Known As: ChemDiv1_009419, A2745/0116656, 2-((5-oxo-4-(m-tolyl)-5,7-dihydro-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-1-yl)thio)acetamide, 2-[4-(3-methylphenyl)-5-oxospiro[4,6,7,12-tetrahydrobenzo[h]1,2,4-triazolo[4,3 -a]quinazoline-6,1'-cyclohexane]ylthio]acetamide, 2-{[4-(3-methylphenyl)-5-oxo-5,7-dihydro-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-1-yl]sulfanyl}acetamide
| Molecular Formula | C27H27N5O2S |
|---|---|
| Molecular Weight | 485.19 g/mol |
| LogP | 4.19102 |
| Topological Polar Surface Area | 95.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 485.18854 |
| Heavy Atoms | 35 |
| Complexity | 1530.6042 |
Chemical Identifiers
| CAS Number | 374090-77-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NN=C6SCC(=O)N |
Product Overview
ChemDiv1_009419 (CAS 374090-77-4), with molecular formula C27H27N5O2S and molecular weight 485.19 g/mol. IUPAC: 2-[12-(3-methylphenyl)-11-oxospiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-16-yl]sulfanylacetamide.
Chemical Property Profile of ChemDiv1_009419
Property Insights of ChemDiv1_009419
The XLogP value of 4.19102 indicates that ChemDiv1_009419 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.28 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009419. Following Lipinski's Rule of Five, ChemDiv1_009419 has 1 hydrogen bond donor(s) and 5 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 ChemDiv1_009419?
The CAS number of ChemDiv1_009419 is 374090-77-4.
What is the molecular formula of ChemDiv1_009419?
The molecular formula of ChemDiv1_009419 is C27H27N5O2S.
What is the molecular weight of ChemDiv1_009419?
The molecular weight of ChemDiv1_009419 is 485.19 g/mol.
Where can I buy ChemDiv1_009419?
You can request a quote for ChemDiv1_009419 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009419?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009419 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.