TimTec1_005299
TL;DR: TimTec1_005299 (CAS 339156-49-9) is a chemical compound with molecular formula C16H15N3S and molecular weight 281.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-4-phenyl-2-sulfanylidene-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
Also Known As: TimTec1_005299, J2.569.571B, A0182/0008140, 6-methyl-4-phenyl-2-thioxo-1,2,5,6,7,8-hexahydro-1,6-naphthyridine-3-carbonitrile, 6-methyl-4-phenyl-2-thioxo-1,5,6,7,8-pentahydropyridino[3,2-c]pyridine-3-carbo nitrile
| Molecular Formula | C16H15N3S |
|---|---|
| Molecular Weight | 281.10 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 71.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 281.09866 |
| Heavy Atoms | 20 |
| Complexity | 543.0 |
Chemical Identifiers
| CAS Number | 339156-49-9 |
|---|---|
| SMILES | CN1CCC2=C(C1)C(=C(C(=S)N2)C#N)C3=CC=CC=C3 |
| InChIKey | YAVQOEYAMDXUCE-UHFFFAOYSA-N |
Product Overview
TimTec1_005299 (CAS 339156-49-9), with molecular formula C16H15N3S and molecular weight 281.10 g/mol. IUPAC: 6-methyl-4-phenyl-2-sulfanylidene-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile.
Chemical Property Profile of TimTec1_005299
Property Insights of TimTec1_005299
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_005299. The TPSA of 71.2 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_005299. Following Lipinski's Rule of Five, TimTec1_005299 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 TimTec1_005299?
The CAS number of TimTec1_005299 is 339156-49-9.
What is the molecular formula of TimTec1_005299?
The molecular formula of TimTec1_005299 is C16H15N3S.
What is the molecular weight of TimTec1_005299?
The molecular weight of TimTec1_005299 is 281.10 g/mol.
Where can I buy TimTec1_005299?
You can request a quote for TimTec1_005299 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_005299?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_005299 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.