BAS 01579816
TL;DR: BAS 01579816 (CAS 312625-72-2) is a chemical compound with molecular formula C20H22N2OS2 and molecular weight 370.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-tert-butyl-3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: BAS 01579816, 7-tert-butyl-2-mercapto-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 7-(tert-Butyl)-2-mercapto-3-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, UPCMLD0ENAT0513-6728:001, 7-(tert-butyl)-3-phenyl-2-thioxo-2,3,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(1H)-one
| Molecular Formula | C20H22N2OS2 |
|---|---|
| Molecular Weight | 370.12 g/mol |
| LogP | 5.26079 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 370.11737 |
| Heavy Atoms | 25 |
| Complexity | 1051.4653 |
Chemical Identifiers
| CAS Number | 312625-72-2 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)N(C(=S)N3)C4=CC=CC=C4 |
Product Overview
BAS 01579816 (CAS 312625-72-2), with molecular formula C20H22N2OS2 and molecular weight 370.12 g/mol. IUPAC: 7-tert-butyl-3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of BAS 01579816
Property Insights of BAS 01579816
The XLogP value of 5.26079 indicates that BAS 01579816 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.79 Ų, BAS 01579816 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01579816 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 BAS 01579816?
The CAS number of BAS 01579816 is 312625-72-2.
What is the molecular formula of BAS 01579816?
The molecular formula of BAS 01579816 is C20H22N2OS2.
What is the molecular weight of BAS 01579816?
The molecular weight of BAS 01579816 is 370.12 g/mol.
Where can I buy BAS 01579816?
You can request a quote for BAS 01579816 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01579816?
Yes, KEHONG BIO provides custom synthesis services for BAS 01579816 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.