ChemDiv1_009952
TL;DR: ChemDiv1_009952 (CAS 351005-84-0) is a chemical compound with molecular formula C20H28N2OS2 and molecular weight 376.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-tert-butyl-3-cyclohexyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: ChemDiv1_009952, 7-tert-butyl-3-cyclohexyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, AE-848/15341033, 7-tert-butyl-3-cyclohexyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one, 7-(tert-butyl)-3-cyclohexyl-2-mercapto-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C20H28N2OS2 |
|---|---|
| Molecular Weight | 376.16 g/mol |
| LogP | 5.77679 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 376.1643 |
| Heavy Atoms | 25 |
| Complexity | 906.63495 |
Chemical Identifiers
| CAS Number | 351005-84-0 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)N(C(=S)N3)C4CCCCC4 |
Product Overview
ChemDiv1_009952 (CAS 351005-84-0), with molecular formula C20H28N2OS2 and molecular weight 376.16 g/mol. IUPAC: 7-tert-butyl-3-cyclohexyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of ChemDiv1_009952
Property Insights of ChemDiv1_009952
The XLogP value of 5.77679 indicates that ChemDiv1_009952 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.79 Ų, ChemDiv1_009952 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_009952 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_009952?
The CAS number of ChemDiv1_009952 is 351005-84-0.
What is the molecular formula of ChemDiv1_009952?
The molecular formula of ChemDiv1_009952 is C20H28N2OS2.
What is the molecular weight of ChemDiv1_009952?
The molecular weight of ChemDiv1_009952 is 376.16 g/mol.
Where can I buy ChemDiv1_009952?
You can request a quote for ChemDiv1_009952 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009952?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009952 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.