TimTec1_006140
TL;DR: TimTec1_006140 (CAS 54785-81-8) is a chemical compound with molecular formula C16H20N6O3S and molecular weight 376.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-ethyl-2-[4-(methylcarbamothioyl)piperazin-1-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
Also Known As: TimTec1_006140, A3278/0139447, 8-ethyl-2-(4-(methylcarbamothioyl)piperazin-1-yl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, 8-ethyl-2-[4-(methylcarbamothioyl)piperazin-1-yl]-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, 8-ethyl-2-[4-(methylcarbamothioyl)piperazin-1-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
| Molecular Formula | C16H20N6O3S |
|---|---|
| Molecular Weight | 376.13 g/mol |
| LogP | 0.1359 |
| Topological Polar Surface Area | 103.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.13177 |
| Heavy Atoms | 26 |
| Complexity | 920.0764 |
Chemical Identifiers
| CAS Number | 54785-81-8 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC)C(=O)O |
Product Overview
TimTec1_006140 (CAS 54785-81-8), with molecular formula C16H20N6O3S and molecular weight 376.13 g/mol. IUPAC: 8-ethyl-2-[4-(methylcarbamothioyl)piperazin-1-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid.
Chemical Property Profile of TimTec1_006140
Property Insights of TimTec1_006140
The XLogP value of 0.1359 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_006140. The TPSA of 103.59 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_006140. Following Lipinski's Rule of Five, TimTec1_006140 has 2 hydrogen bond donor(s) and 6 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_006140?
The CAS number of TimTec1_006140 is 54785-81-8.
What is the molecular formula of TimTec1_006140?
The molecular formula of TimTec1_006140 is C16H20N6O3S.
What is the molecular weight of TimTec1_006140?
The molecular weight of TimTec1_006140 is 376.13 g/mol.
Where can I buy TimTec1_006140?
You can request a quote for TimTec1_006140 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_006140?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_006140 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.