TimTec1_005546
TL;DR: TimTec1_005546 (CAS 328069-22-3) is a chemical compound with molecular formula C25H23FN4O3S and molecular weight 478.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-5-cyano-2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanylmethyl]-4-(4-fluorophenyl)-4H-pyran-3-carboxylate
Also Known As: TimTec1_005546, A0439/0020336, ethyl 6-amino-5-cyano-2-{[(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-2-(((3-cyano-6-ethyl-5-methylpyridin-2-yl)thio)methyl)-4-(4-fluorophenyl)-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-2-[(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanylmethyl]-4-(4-fluorophenyl)-4H-pyran-3-carboxylate
| Molecular Formula | C25H23FN4O3S |
|---|---|
| Molecular Weight | 478.15 g/mol |
| LogP | 4.38038 |
| Topological Polar Surface Area | 122.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 478.1475 |
| Heavy Atoms | 34 |
| Complexity | 1256.6475 |
Chemical Identifiers
| CAS Number | 328069-22-3 |
|---|---|
| SMILES | CCC1=NC(=C(C=C1C)C#N)SCC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)F)C(=O)OCC |
Product Overview
TimTec1_005546 (CAS 328069-22-3), with molecular formula C25H23FN4O3S and molecular weight 478.15 g/mol. IUPAC: ethyl 6-amino-5-cyano-2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanylmethyl]-4-(4-fluorophenyl)-4H-pyran-3-carboxylate.
Chemical Property Profile of TimTec1_005546
Property Insights of TimTec1_005546
The XLogP value of 4.38038 indicates that TimTec1_005546 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.02 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_005546. Following Lipinski's Rule of Five, TimTec1_005546 has 1 hydrogen bond donor(s) and 8 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_005546?
The CAS number of TimTec1_005546 is 328069-22-3.
What is the molecular formula of TimTec1_005546?
The molecular formula of TimTec1_005546 is C25H23FN4O3S.
What is the molecular weight of TimTec1_005546?
The molecular weight of TimTec1_005546 is 478.15 g/mol.
Where can I buy TimTec1_005546?
You can request a quote for TimTec1_005546 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_005546?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_005546 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.