9X-0247
TL;DR: 9X-0247 (CAS 866149-63-5) is a chemical compound with molecular formula C21H23N5O and molecular weight 361.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-methyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrol-3-yl]-phenylmethanone
Also Known As: 9X-0247, (1-methyl-5-{[4-(2-pyrimidinyl)piperazino]methyl}-1H-pyrrol-3-yl)(phenyl)methanone, [1-methyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrol-3-yl]-phenylmethanone, 2-{4-[(4-benzoyl-1-methyl-1H-pyrrol-2-yl)methyl]piperazin-1-yl}pyrimidine, [1-methyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrol-3-yl]-phenyl-methanone
| Molecular Formula | C21H23N5O |
|---|---|
| Molecular Weight | 361.19 g/mol |
| LogP | 2.3683 |
| Topological Polar Surface Area | 54.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.19025 |
| Heavy Atoms | 27 |
| Complexity | 898.8361 |
Chemical Identifiers
| CAS Number | 866149-63-5 |
|---|---|
| SMILES | CN1C=C(C=C1CN2CCN(CC2)C3=NC=CC=N3)C(=O)C4=CC=CC=C4 |
Product Overview
9X-0247 (CAS 866149-63-5), with molecular formula C21H23N5O and molecular weight 361.19 g/mol. IUPAC: [1-methyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrol-3-yl]-phenylmethanone.
Chemical Property Profile of 9X-0247
Property Insights of 9X-0247
The XLogP value of 2.3683 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9X-0247. With a topological polar surface area (TPSA) of 54.26 Ų, 9X-0247 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9X-0247 has 0 hydrogen bond donor(s) and 5 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 9X-0247?
The CAS number of 9X-0247 is 866149-63-5.
What is the molecular formula of 9X-0247?
The molecular formula of 9X-0247 is C21H23N5O.
What is the molecular weight of 9X-0247?
The molecular weight of 9X-0247 is 361.19 g/mol.
Where can I buy 9X-0247?
You can request a quote for 9X-0247 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9X-0247?
Yes, KEHONG BIO provides custom synthesis services for 9X-0247 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.