Benzonitrile, 2-(6-methyl-2-(1-piperazinyl)thieno(2,3-d)pyrimidin-4-yl)-, monohydrochloride
TL;DR: Benzonitrile, 2-(6-methyl-2-(1-piperazinyl)thieno(2,3-d)pyrimidin-4-yl)-, monohydrochloride (CAS 99487-38-4) is a chemical compound with molecular formula C18H18ClN5S and molecular weight 371.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-methyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-yl)benzonitrile;hydrochloride
Also Known As: Benzonitrile, 2-(6-methyl-2-(1-piperazinyl)thieno(2,3-d)pyrimidin-4-yl)-, monohydrochloride, 2-(6-Methyl-2-(1-piperazinyl)thieno(2,3-d)pyrimidin-4-yl)benzonitrile monohydrochloride, 2-(6-methyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-yl)benzonitrile hydrochloride, 2-[6-Methyl-2-(piperazin-1-yl)thieno[2,3-d]pyrimidin-4-yl]benzonitrile--hydrogen chloride (1/1), RefChem:327994
| Molecular Formula | C18H18ClN5S |
|---|---|
| Molecular Weight | 371.10 g/mol |
| LogP | 3.3698 |
| Topological Polar Surface Area | 64.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 371.09714 |
| Heavy Atoms | 25 |
| Complexity | 940.27966 |
Chemical Identifiers
| CAS Number | 99487-38-4 |
|---|---|
| SMILES | CC1=CC2=C(N=C(N=C2S1)N3CCNCC3)C4=CC=CC=C4C#N.Cl |
Product Overview
Benzonitrile, 2-(6-methyl-2-(1-piperazinyl)thieno(2,3-d)pyrimidin-4-yl)-, monohydrochloride (CAS 99487-38-4), with molecular formula C18H18ClN5S and molecular weight 371.10 g/mol. IUPAC: 2-(6-methyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-yl)benzonitrile;hydrochloride.
Chemical Property Profile of Benzonitrile, 2-(6-methyl-2-(1-piperazinyl)thieno(2,3-d)pyrimidin-4-yl)-, monohydrochloride
Property Insights of Benzonitrile, 2-(6-methyl-2-(1-piperazinyl)thieno(2,3-d)pyrimidin-4-yl)-, monohydrochloride
The XLogP value of 3.3698 indicates that Benzonitrile, 2-(6-methyl-2-(1-piperazinyl)thieno(2,3-d)pyrimidin-4-yl)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile, 2-(6-methyl-2-(1-piperazinyl)thieno(2,3-d)pyrimidin-4-yl)-, monohydrochloride. Following Lipinski's Rule of Five, Benzonitrile, 2-(6-methyl-2-(1-piperazinyl)thieno(2,3-d)pyrimidin-4-yl)-, monohydrochloride has 1 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 Benzonitrile, 2-(6-methyl-2-(1-piperazinyl)thieno(2,3-d)pyrimidin-4-yl)-, monohydrochloride?
The CAS number of Benzonitrile, 2-(6-methyl-2-(1-piperazinyl)thieno(2,3-d)pyrimidin-4-yl)-, monohydrochloride is 99487-38-4.
What is the molecular formula of Benzonitrile, 2-(6-methyl-2-(1-piperazinyl)thieno(2,3-d)pyrimidin-4-yl)-, monohydrochloride?
The molecular formula of Benzonitrile, 2-(6-methyl-2-(1-piperazinyl)thieno(2,3-d)pyrimidin-4-yl)-, monohydrochloride is C18H18ClN5S.
What is the molecular weight of Benzonitrile, 2-(6-methyl-2-(1-piperazinyl)thieno(2,3-d)pyrimidin-4-yl)-, monohydrochloride?
The molecular weight of Benzonitrile, 2-(6-methyl-2-(1-piperazinyl)thieno(2,3-d)pyrimidin-4-yl)-, monohydrochloride is 371.10 g/mol.
Where can I buy Benzonitrile, 2-(6-methyl-2-(1-piperazinyl)thieno(2,3-d)pyrimidin-4-yl)-, monohydrochloride?
You can request a quote for Benzonitrile, 2-(6-methyl-2-(1-piperazinyl)thieno(2,3-d)pyrimidin-4-yl)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 2-(6-methyl-2-(1-piperazinyl)thieno(2,3-d)pyrimidin-4-yl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 2-(6-methyl-2-(1-piperazinyl)thieno(2,3-d)pyrimidin-4-yl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.