BIM-0038898.P001
TL;DR: BIM-0038898.P001 (CAS 5952-69-2) is a chemical compound with molecular formula C19H20N2OS and molecular weight 324.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: BIM-0038898.P001, 2-[4-(propan-2-yl)phenyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one, 2-(4-isopropylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C19H20N2OS |
|---|---|
| Molecular Weight | 324.13 g/mol |
| LogP | 4.6538 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.12964 |
| Heavy Atoms | 23 |
| Complexity | 918.93286 |
Chemical Identifiers
| CAS Number | 5952-69-2 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2 |
Product Overview
BIM-0038898.P001 (CAS 5952-69-2), with molecular formula C19H20N2OS and molecular weight 324.13 g/mol. IUPAC: 2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of BIM-0038898.P001
Property Insights of BIM-0038898.P001
The XLogP value of 4.6538 indicates that BIM-0038898.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.75 Ų, BIM-0038898.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0038898.P001 has 1 hydrogen bond donor(s) and 3 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 BIM-0038898.P001?
The CAS number of BIM-0038898.P001 is 5952-69-2.
What is the molecular formula of BIM-0038898.P001?
The molecular formula of BIM-0038898.P001 is C19H20N2OS.
What is the molecular weight of BIM-0038898.P001?
The molecular weight of BIM-0038898.P001 is 324.13 g/mol.
Where can I buy BIM-0038898.P001?
You can request a quote for BIM-0038898.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0038898.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0038898.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.