ChemDiv1_023264
TL;DR: ChemDiv1_023264 (CAS 351004-58-5) is a chemical compound with molecular formula C23H24N4OS2 and molecular weight 436.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-(4-methylphenyl)-12-(2-methylprop-2-enylsulfanyl)-9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.011,15]heptadeca-1(10),2(8),12,14-tetraen-17-one
Also Known As: ChemDiv1_023264, 1-((2-methylallyl)thio)-4-(p-tolyl)-7,8,9,10-tetrahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one, 1-[(2-METHYLALLYL)SULFANYL]-4-(4-METHYLPHENYL)-7,8,9,10-TETRAHYDRO-6H-CYCLOHEPTA[4,5]THIENO[3,2-E][1,2,4]TRIAZOLO[4,3-A]PYRIMIDIN-5(4H)-ONE, 4-(4-methylphenyl)-1-[(2-methylprop-2-en-1-yl)sulfanyl]-7,8,9,10-tetrahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
| Molecular Formula | C23H24N4OS2 |
|---|---|
| Molecular Weight | 436.14 g/mol |
| LogP | 5.34042 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.13916 |
| Heavy Atoms | 30 |
| Complexity | 1327.7394 |
Chemical Identifiers
| CAS Number | 351004-58-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCC(=C)C)SC5=C3CCCCC5 |
Product Overview
ChemDiv1_023264 (CAS 351004-58-5), with molecular formula C23H24N4OS2 and molecular weight 436.14 g/mol. IUPAC: 16-(4-methylphenyl)-12-(2-methylprop-2-enylsulfanyl)-9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.011,15]heptadeca-1(10),2(8),12,14-tetraen-17-one.
Chemical Property Profile of ChemDiv1_023264
Property Insights of ChemDiv1_023264
The XLogP value of 5.34042 indicates that ChemDiv1_023264 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.19 Ų, ChemDiv1_023264 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_023264 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_023264?
The CAS number of ChemDiv1_023264 is 351004-58-5.
What is the molecular formula of ChemDiv1_023264?
The molecular formula of ChemDiv1_023264 is C23H24N4OS2.
What is the molecular weight of ChemDiv1_023264?
The molecular weight of ChemDiv1_023264 is 436.14 g/mol.
Where can I buy ChemDiv1_023264?
You can request a quote for ChemDiv1_023264 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023264?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023264 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.