![1-(4-(7-isobutyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl)ethanone structure](/static/products/905/905015-15-8.png)
1-(4-(7-isobutyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl)ethanone
TL;DR: 1-(4-(7-isobutyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl)ethanone (CAS 905015-15-8) is a chemical compound with molecular formula C18H27N5O and molecular weight 329.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[5,6-dimethyl-7-(2-methylpropyl)pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone
Also Known As: 1-(4-(7-isobutyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl)ethanone, 1-[4-[5,6-dimethyl-7-(2-methylpropyl)pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone, 1-{4-[5,6-dimethyl-7-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl}ethanone
| Molecular Formula | C18H27N5O |
|---|---|
| Molecular Weight | 329.22 g/mol |
| LogP | 2.37264 |
| Topological Polar Surface Area | 54.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.22156 |
| Heavy Atoms | 24 |
| Complexity | 756.34515 |
Chemical Identifiers
| CAS Number | 905015-15-8 |
|---|---|
| SMILES | CC1=C(N(C2=C1C(=NC=N2)N3CCN(CC3)C(=O)C)CC(C)C)C |
Product Overview
1-(4-(7-isobutyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl)ethanone (CAS 905015-15-8), with molecular formula C18H27N5O and molecular weight 329.22 g/mol. IUPAC: 1-[4-[5,6-dimethyl-7-(2-methylpropyl)pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone.
Chemical Property Profile of 1-(4-(7-isobutyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl)ethanone
Property Insights of 1-(4-(7-isobutyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl)ethanone
The XLogP value of 2.37264 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-(7-isobutyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl)ethanone. With a topological polar surface area (TPSA) of 54.26 Ų, 1-(4-(7-isobutyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-(7-isobutyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl)ethanone has 0 hydrogen bond donor(s) and 4 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-(4-(7-isobutyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl)ethanone?
The CAS number of 1-(4-(7-isobutyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl)ethanone is 905015-15-8.
What is the molecular formula of 1-(4-(7-isobutyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl)ethanone?
The molecular formula of 1-(4-(7-isobutyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl)ethanone is C18H27N5O.
What is the molecular weight of 1-(4-(7-isobutyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl)ethanone?
The molecular weight of 1-(4-(7-isobutyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl)ethanone is 329.22 g/mol.
Where can I buy 1-(4-(7-isobutyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl)ethanone?
You can request a quote for 1-(4-(7-isobutyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-(7-isobutyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-(7-isobutyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.