TimTec1_001132
TL;DR: TimTec1_001132 (CAS 330646-56-5) is a chemical compound with molecular formula C18H17N3O2S and molecular weight 339.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1-oxo-2-phenyl-5,6,7,8-tetrahydropentaleno[2,1-d]pyrimidin-3-yl)sulfanyl]acetamide
Also Known As: TimTec1_001132, BRD-K50023325-001-01-2, 2-(4-oxo-3-phenyl-3,5,6,7,8-pentahydropentaleno[2,1-d]pyrimidin-2-ylthio)aceta mide, 2-[(1-oxo-2-phenyl-5,6,7,8-tetrahydropentaleno[2,1-d]pyrimidin-3-yl)sulfanyl]acetamide, 2-[(3,4,5,6,7,8-Hexahydro-4-oxo-3-phenylpentaleno[2,1-d]pyrimidin-2-yl)thio]acetamide
| Molecular Formula | C18H17N3O2S |
|---|---|
| Molecular Weight | 339.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.10416 |
| Heavy Atoms | 24 |
| Complexity | 686.0 |
Chemical Identifiers
| CAS Number | 330646-56-5 |
|---|---|
| SMILES | C1CC2=C(C1)C3=C(C2)N=C(N(C3=O)C4=CC=CC=C4)SCC(=O)N |
| InChIKey | WQVZRQFZDJCBIF-UHFFFAOYSA-N |
Product Overview
TimTec1_001132 (CAS 330646-56-5), with molecular formula C18H17N3O2S and molecular weight 339.10 g/mol. IUPAC: 2-[(1-oxo-2-phenyl-5,6,7,8-tetrahydropentaleno[2,1-d]pyrimidin-3-yl)sulfanyl]acetamide.
Chemical Property Profile of TimTec1_001132
Property Insights of TimTec1_001132
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_001132. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_001132. Following Lipinski's Rule of Five, TimTec1_001132 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 TimTec1_001132?
The CAS number of TimTec1_001132 is 330646-56-5.
What is the molecular formula of TimTec1_001132?
The molecular formula of TimTec1_001132 is C18H17N3O2S.
What is the molecular weight of TimTec1_001132?
The molecular weight of TimTec1_001132 is 339.10 g/mol.
Where can I buy TimTec1_001132?
You can request a quote for TimTec1_001132 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_001132?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_001132 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.