BIM-0021746.P001
TL;DR: BIM-0021746.P001 (CAS 351160-39-9) is a chemical compound with molecular formula C22H24N4OS2 and molecular weight 424.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-tert-butyl-7-(4-methylphenyl)-3-sulfanylidene-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),5,10(15)-trien-8-one
Also Known As: BIM-0021746.P001, 8-(tert-butyl)-1-mercapto-4-(p-tolyl)-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-4-(4-methylphenyl)-1-thioxo-2,4,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
| Molecular Formula | C22H24N4OS2 |
|---|---|
| Molecular Weight | 424.14 g/mol |
| LogP | 5.21691 |
| Topological Polar Surface Area | 55.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 424.13916 |
| Heavy Atoms | 29 |
| Complexity | 1363.0663 |
Chemical Identifiers
| CAS Number | 351160-39-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NNC4=S)SC5=C3CCC(C5)C(C)(C)C |
Product Overview
BIM-0021746.P001 (CAS 351160-39-9), with molecular formula C22H24N4OS2 and molecular weight 424.14 g/mol. IUPAC: 13-tert-butyl-7-(4-methylphenyl)-3-sulfanylidene-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),5,10(15)-trien-8-one.
Chemical Property Profile of BIM-0021746.P001
Property Insights of BIM-0021746.P001
The XLogP value of 5.21691 indicates that BIM-0021746.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.09 Ų, BIM-0021746.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0021746.P001 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BIM-0021746.P001?
The CAS number of BIM-0021746.P001 is 351160-39-9.
What is the molecular formula of BIM-0021746.P001?
The molecular formula of BIM-0021746.P001 is C22H24N4OS2.
What is the molecular weight of BIM-0021746.P001?
The molecular weight of BIM-0021746.P001 is 424.14 g/mol.
Where can I buy BIM-0021746.P001?
You can request a quote for BIM-0021746.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0021746.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0021746.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.