DivK1c_004943
TL;DR: DivK1c_004943 (CAS 351338-48-2) 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.
7-benzyl-13-tert-butyl-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: DivK1c_004943, CDS1_003903, BIM-0017318.P001, 4-benzyl-8-(tert-butyl)-1-mercapto-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one, 7-Benzyl-13-tert-butyl-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
| Molecular Formula | C22H24N4OS2 |
|---|---|
| Molecular Weight | 424.14 g/mol |
| LogP | 4.96759 |
| Topological Polar Surface Area | 55.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 424.13916 |
| Heavy Atoms | 29 |
| Complexity | 1335.1388 |
Chemical Identifiers
| CAS Number | 351338-48-2 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)N(C4=NNC(=S)N34)CC5=CC=CC=C5 |
Product Overview
DivK1c_004943 (CAS 351338-48-2), with molecular formula C22H24N4OS2 and molecular weight 424.14 g/mol. IUPAC: 7-benzyl-13-tert-butyl-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 DivK1c_004943
Property Insights of DivK1c_004943
The XLogP value of 4.96759 indicates that DivK1c_004943 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.09 Ų, DivK1c_004943 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, DivK1c_004943 has 1 hydrogen bond donor(s) and 4 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 DivK1c_004943?
The CAS number of DivK1c_004943 is 351338-48-2.
What is the molecular formula of DivK1c_004943?
The molecular formula of DivK1c_004943 is C22H24N4OS2.
What is the molecular weight of DivK1c_004943?
The molecular weight of DivK1c_004943 is 424.14 g/mol.
Where can I buy DivK1c_004943?
You can request a quote for DivK1c_004943 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DivK1c_004943?
Yes, KEHONG BIO provides custom synthesis services for DivK1c_004943 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.