ChemDiv1_021319
TL;DR: ChemDiv1_021319 (CAS 313702-59-9) is a chemical compound with molecular formula C25H28N4OS2 and molecular weight 464.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-tert-butyl-3-(2-methylprop-2-enylsulfanyl)-7-phenyl-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
Also Known As: ChemDiv1_021319, 8-(tert-butyl)-1-((2-methylallyl)thio)-4-phenyl-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one, 8-tert-butyl-1-[(2-methylprop-2-en-1-yl)sulfanyl]-4-phenyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
| Molecular Formula | C25H28N4OS2 |
|---|---|
| Molecular Weight | 464.17 g/mol |
| LogP | 5.9141 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 464.17044 |
| Heavy Atoms | 32 |
| Complexity | 1389.0875 |
Chemical Identifiers
| CAS Number | 313702-59-9 |
|---|---|
| SMILES | CC(=C)CSC1=NN=C2N1C3=C(C4=C(S3)CC(CC4)C(C)(C)C)C(=O)N2C5=CC=CC=C5 |
Product Overview
ChemDiv1_021319 (CAS 313702-59-9), with molecular formula C25H28N4OS2 and molecular weight 464.17 g/mol. IUPAC: 13-tert-butyl-3-(2-methylprop-2-enylsulfanyl)-7-phenyl-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one.
Chemical Property Profile of ChemDiv1_021319
Property Insights of ChemDiv1_021319
The XLogP value of 5.9141 indicates that ChemDiv1_021319 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_021319 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_021319 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_021319?
The CAS number of ChemDiv1_021319 is 313702-59-9.
What is the molecular formula of ChemDiv1_021319?
The molecular formula of ChemDiv1_021319 is C25H28N4OS2.
What is the molecular weight of ChemDiv1_021319?
The molecular weight of ChemDiv1_021319 is 464.17 g/mol.
Where can I buy ChemDiv1_021319?
You can request a quote for ChemDiv1_021319 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021319?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021319 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.