TimTec1_000395
TL;DR: TimTec1_000395 (CAS 97651-29-1) is a chemical compound with molecular formula C17H16N2O3S and molecular weight 328.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-cyano-4-(4-methoxyphenyl)-2-methyl-6-sulfanylidene-1H-pyridine-3-carboxylate
Also Known As: TimTec1_000395, J2.510.455B, ethyl 5-cyano-4-(4-methoxyphenyl)-2-methyl-6-thioxo-1,6-dihydro-3-pyridinecarboxylate, BRD-K02088505-001-01-6, ethyl 5-cyano-4-(4-methoxyphenyl)-2-methyl-6-sulfanylidene-1H-pyridine-3-carboxylate
| Molecular Formula | C17H16N2O3S |
|---|---|
| Molecular Weight | 328.09 g/mol |
| LogP | 3.77659 |
| Topological Polar Surface Area | 75.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.08817 |
| Heavy Atoms | 23 |
| Complexity | 832.6426 |
Chemical Identifiers
| CAS Number | 97651-29-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=S)C(=C1C2=CC=C(C=C2)OC)C#N)C |
Product Overview
TimTec1_000395 (CAS 97651-29-1), with molecular formula C17H16N2O3S and molecular weight 328.09 g/mol. IUPAC: ethyl 5-cyano-4-(4-methoxyphenyl)-2-methyl-6-sulfanylidene-1H-pyridine-3-carboxylate.
Chemical Property Profile of TimTec1_000395
Property Insights of TimTec1_000395
The XLogP value of 3.77659 indicates that TimTec1_000395 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.11 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_000395. Following Lipinski's Rule of Five, TimTec1_000395 has 1 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_000395?
The CAS number of TimTec1_000395 is 97651-29-1.
What is the molecular formula of TimTec1_000395?
The molecular formula of TimTec1_000395 is C17H16N2O3S.
What is the molecular weight of TimTec1_000395?
The molecular weight of TimTec1_000395 is 328.09 g/mol.
Where can I buy TimTec1_000395?
You can request a quote for TimTec1_000395 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_000395?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_000395 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.