塞曼特羅
TL;DR: 塞曼特羅 (CAS 54239-37-1) is a chemical compound with molecular formula C12H17N3O and molecular weight 219.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
塞曼特羅
2-amino-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzonitrile
Also Known As: cimaterol, Cimater, cimatrol, Cimaterolum, Cimaterol-d7
| Molecular Formula | C12H17N3O |
|---|---|
| Molecular Weight | 219.14 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.13716 |
| Heavy Atoms | 16 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 54239-37-1 |
|---|---|
| SMILES | CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O |
| InChIKey | BUXRLJCGHZZYNE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
塞曼特羅 (CAS 54239-37-1), with molecular formula C12H17N3O and molecular weight 219.14 g/mol. IUPAC: 2-amino-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzonitrile.
Chemical Property Profile of 塞曼特羅
Property Insights of 塞曼特羅
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 塞曼特羅. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 塞曼特羅. Following Lipinski's Rule of Five, 塞曼特羅 has 3 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 塞曼特羅?
The CAS number of 塞曼特羅 is 54239-37-1.
What is the molecular formula of 塞曼特羅?
The molecular formula of 塞曼特羅 is C12H17N3O.
What is the molecular weight of 塞曼特羅?
The molecular weight of 塞曼特羅 is 219.14 g/mol.
Where can I buy 塞曼特羅?
You can request a quote for 塞曼特羅 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 塞曼特羅?
Yes, KEHONG BIO provides custom synthesis services for 塞曼特羅 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.