![1-[5-Methyl-4-(4-propylpiperazin-1-YL)thieno[2,3-D]pyrimidine-6-carbonyl]azepane structure](/static/products/697/697258-74-5.png)
1-[5-Methyl-4-(4-propylpiperazin-1-YL)thieno[2,3-D]pyrimidine-6-carbonyl]azepane
TL;DR: 1-[5-Methyl-4-(4-propylpiperazin-1-YL)thieno[2,3-D]pyrimidine-6-carbonyl]azepane (CAS 697258-74-5) is a chemical compound with molecular formula C21H31N5OS and molecular weight 401.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl-[5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone
Also Known As: ChemDiv1_017361, 1-[5-METHYL-4-(4-PROPYLPIPERAZIN-1-YL)THIENO[2,3-D]PYRIMIDINE-6-CARBONYL]AZEPANE, (Azepan-1-yl)[5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone, azepan-1-yl-[5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone, (Hexahydro-1H-azepin-1-yl)[5-methyl-4-(4-propyl-1-piperazinyl)thieno[2,3-d]pyrimidin-6-yl]methanone
| Molecular Formula | C21H31N5OS |
|---|---|
| Molecular Weight | 401.22 g/mol |
| LogP | 3.54792 |
| Topological Polar Surface Area | 52.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.22495 |
| Heavy Atoms | 28 |
| Complexity | 819.5554 |
Chemical Identifiers
| CAS Number | 697258-74-5 |
|---|---|
| SMILES | CCCN1CCN(CC1)C2=C3C(=C(SC3=NC=N2)C(=O)N4CCCCCC4)C |
Product Overview
1-[5-Methyl-4-(4-propylpiperazin-1-YL)thieno[2,3-D]pyrimidine-6-carbonyl]azepane (CAS 697258-74-5), with molecular formula C21H31N5OS and molecular weight 401.22 g/mol. IUPAC: azepan-1-yl-[5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone.
Chemical Property Profile of 1-[5-Methyl-4-(4-propylpiperazin-1-YL)thieno[2,3-D]pyrimidine-6-carbonyl]azepane
Property Insights of 1-[5-Methyl-4-(4-propylpiperazin-1-YL)thieno[2,3-D]pyrimidine-6-carbonyl]azepane
The XLogP value of 3.54792 indicates that 1-[5-Methyl-4-(4-propylpiperazin-1-YL)thieno[2,3-D]pyrimidine-6-carbonyl]azepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.57 Ų, 1-[5-Methyl-4-(4-propylpiperazin-1-YL)thieno[2,3-D]pyrimidine-6-carbonyl]azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[5-Methyl-4-(4-propylpiperazin-1-YL)thieno[2,3-D]pyrimidine-6-carbonyl]azepane has 0 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 1-[5-Methyl-4-(4-propylpiperazin-1-YL)thieno[2,3-D]pyrimidine-6-carbonyl]azepane?
The CAS number of 1-[5-Methyl-4-(4-propylpiperazin-1-YL)thieno[2,3-D]pyrimidine-6-carbonyl]azepane is 697258-74-5.
What is the molecular formula of 1-[5-Methyl-4-(4-propylpiperazin-1-YL)thieno[2,3-D]pyrimidine-6-carbonyl]azepane?
The molecular formula of 1-[5-Methyl-4-(4-propylpiperazin-1-YL)thieno[2,3-D]pyrimidine-6-carbonyl]azepane is C21H31N5OS.
What is the molecular weight of 1-[5-Methyl-4-(4-propylpiperazin-1-YL)thieno[2,3-D]pyrimidine-6-carbonyl]azepane?
The molecular weight of 1-[5-Methyl-4-(4-propylpiperazin-1-YL)thieno[2,3-D]pyrimidine-6-carbonyl]azepane is 401.22 g/mol.
Where can I buy 1-[5-Methyl-4-(4-propylpiperazin-1-YL)thieno[2,3-D]pyrimidine-6-carbonyl]azepane?
You can request a quote for 1-[5-Methyl-4-(4-propylpiperazin-1-YL)thieno[2,3-D]pyrimidine-6-carbonyl]azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[5-Methyl-4-(4-propylpiperazin-1-YL)thieno[2,3-D]pyrimidine-6-carbonyl]azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-[5-Methyl-4-(4-propylpiperazin-1-YL)thieno[2,3-D]pyrimidine-6-carbonyl]azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.