Neldazosin
TL;DR: Neldazosin (CAS 109713-79-3) is a chemical compound with molecular formula C18H25N5O4 and molecular weight 375.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-3-hydroxybutan-1-one
Also Known As: Neldazosin, Neldazosina, Neldazosine, Neldazosinum, Neldazosin [INN]
| Molecular Formula | C18H25N5O4 |
|---|---|
| Molecular Weight | 375.19 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.19064 |
| Heavy Atoms | 27 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 109713-79-3 |
|---|---|
| SMILES | CC(CC(=O)N1CCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC)O |
| InChIKey | IOSMPEJNAQZKJT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Neldazosin (CAS 109713-79-3), with molecular formula C18H25N5O4 and molecular weight 375.19 g/mol. IUPAC: 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-3-hydroxybutan-1-one.
Chemical Property Profile of Neldazosin
Property Insights of Neldazosin
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neldazosin. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Neldazosin. Following Lipinski's Rule of Five, Neldazosin has 2 hydrogen bond donor(s) and 8 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 Neldazosin?
The CAS number of Neldazosin is 109713-79-3.
What is the molecular formula of Neldazosin?
The molecular formula of Neldazosin is C18H25N5O4.
What is the molecular weight of Neldazosin?
The molecular weight of Neldazosin is 375.19 g/mol.
Where can I buy Neldazosin?
You can request a quote for Neldazosin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neldazosin?
Yes, KEHONG BIO provides custom synthesis services for Neldazosin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.