NCIOpen2_007308
TL;DR: NCIOpen2_007308 (CAS 85648-45-9) is a chemical compound with molecular formula C22H29N5O2 and molecular weight 395.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methylphenyl)-4-[2-[(4-methylphenyl)carbamoylamino]ethyl]piperazine-1-carboxamide
Also Known As: NCIOpen2_007308, n-(4-methylphenyl)-4-(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)piperazine-1-carboxamide, n-(P-tolyl)-4-(2-(3-(p-tolyl)ureido)ethyl)piperazine-1-carboxamide, N- -4-[2-[ carbamoylamino]ethyl]piperazine-1-carboxamide, N-(4-METHYLPHENYL)(4-(2-(((4-METHYLPHENYL)AMINO)CARBONYLAMINO)ETHYL)PIPERAZINYL)FORMAMIDE
| Molecular Formula | C22H29N5O2 |
|---|---|
| Molecular Weight | 395.23 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.23212 |
| Heavy Atoms | 29 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 85648-45-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)NCCN2CCN(CC2)C(=O)NC3=CC=C(C=C3)C |
| InChIKey | NHJBAPXWMLJWCN-UHFFFAOYSA-N |
Product Overview
NCIOpen2_007308 (CAS 85648-45-9), with molecular formula C22H29N5O2 and molecular weight 395.23 g/mol. IUPAC: N-(4-methylphenyl)-4-[2-[(4-methylphenyl)carbamoylamino]ethyl]piperazine-1-carboxamide.
Chemical Property Profile of NCIOpen2_007308
Property Insights of NCIOpen2_007308
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCIOpen2_007308. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIOpen2_007308. Following Lipinski's Rule of Five, NCIOpen2_007308 has 3 hydrogen bond donor(s) and 3 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 NCIOpen2_007308?
The CAS number of NCIOpen2_007308 is 85648-45-9.
What is the molecular formula of NCIOpen2_007308?
The molecular formula of NCIOpen2_007308 is C22H29N5O2.
What is the molecular weight of NCIOpen2_007308?
The molecular weight of NCIOpen2_007308 is 395.23 g/mol.
Where can I buy NCIOpen2_007308?
You can request a quote for NCIOpen2_007308 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_007308?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_007308 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.