TimTec1_004462
TL;DR: TimTec1_004462 (CAS 312274-25-2) is a chemical compound with molecular formula C15H11N3OS3 and molecular weight 345.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-2-sulfanylidene-5-thiophen-2-yl-5,6-dihydro-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
Also Known As: TimTec1_004462, BAS 13120310, A1723/0073392, 3-phenyl-5-(thiophen-2-yl)-2-thioxo-2,3,5,6-tetrahydrothiazolo[4,5-d]pyrimidin-7(4H)-one, 3-PHENYL-2-SULFANYLIDENE-5-(THIOPHEN-2-YL)-2H,3H,4H,5H,6H,7H-[1,3]THIAZOLO[4,5-D]PYRIMIDIN-7-ONE
| Molecular Formula | C15H11N3OS3 |
|---|---|
| Molecular Weight | 345.01 g/mol |
| LogP | 4.18389 |
| Topological Polar Surface Area | 46.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 345.00644 |
| Heavy Atoms | 22 |
| Complexity | 880.6559 |
Chemical Identifiers
| CAS Number | 312274-25-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C3=C(C(=O)NC(N3)C4=CC=CS4)SC2=S |
Product Overview
TimTec1_004462 (CAS 312274-25-2), with molecular formula C15H11N3OS3 and molecular weight 345.01 g/mol. IUPAC: 3-phenyl-2-sulfanylidene-5-thiophen-2-yl-5,6-dihydro-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one.
Chemical Property Profile of TimTec1_004462
Property Insights of TimTec1_004462
The XLogP value of 4.18389 indicates that TimTec1_004462 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.06 Ų, TimTec1_004462 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TimTec1_004462 has 2 hydrogen bond donor(s) and 5 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_004462?
The CAS number of TimTec1_004462 is 312274-25-2.
What is the molecular formula of TimTec1_004462?
The molecular formula of TimTec1_004462 is C15H11N3OS3.
What is the molecular weight of TimTec1_004462?
The molecular weight of TimTec1_004462 is 345.01 g/mol.
Where can I buy TimTec1_004462?
You can request a quote for TimTec1_004462 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_004462?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_004462 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.