阿达色林
TL;DR: 阿达色林 (CAS 127266-56-2) is a chemical compound with molecular formula C21H31N5O and molecular weight 369.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿达色林
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]adamantane-1-carboxamide
Also Known As: Adatanserin, adatanserina, adatanserine, Adatanserin [INN], adatanserinum
| Molecular Formula | C21H31N5O |
|---|---|
| Molecular Weight | 369.25 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.25287 |
| Heavy Atoms | 27 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 127266-56-2 |
|---|---|
| SMILES | C1CN(CCN1CCNC(=O)C23CC4CC(C2)CC(C4)C3)C5=NC=CC=N5 |
| InChIKey | HPFLVTSWRFCPCV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
阿达色林 (CAS 127266-56-2), with molecular formula C21H31N5O and molecular weight 369.25 g/mol. IUPAC: N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]adamantane-1-carboxamide.
Chemical Property Profile of 阿达色林
Property Insights of 阿达色林
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 阿达色林. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 阿达色林. Following Lipinski's Rule of Five, 阿达色林 has 1 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 阿达色林?
The CAS number of 阿达色林 is 127266-56-2.
What is the molecular formula of 阿达色林?
The molecular formula of 阿达色林 is C21H31N5O.
What is the molecular weight of 阿达色林?
The molecular weight of 阿达色林 is 369.25 g/mol.
Where can I buy 阿达色林?
You can request a quote for 阿达色林 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿达色林?
Yes, KEHONG BIO provides custom synthesis services for 阿达色林 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.