SM 911
TL;DR: SM 911 (CAS 99899-46-4) is a chemical compound with molecular formula C25H34ClN5O3 and molecular weight 487.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
SM 911
1-adamantyl-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]methanone;hydrochloride
Also Known As: SM 911, 2-(4-(1-Adamantane carbonyl)piperazinyl)-4-amino-6,7-dimethoxyquinazoline hcl, 1-adamantyl-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]methanone hydrochloride, 1-adamantyl-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]methanone;hydrochloride, 1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-(tricyclo(3.3.1.13,7)dec-1-ylcarbonyl)piperazine monohydrochloride
| Molecular Formula | C25H34ClN5O3 |
|---|---|
| Molecular Weight | 487.24 g/mol |
| LogP | 3.52 |
| Topological Polar Surface Area | 93.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 487.23502 |
| Heavy Atoms | 34 |
| Complexity | 700.0 |
Chemical Identifiers
| CAS Number | 99899-46-4 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5)N)OC.Cl |
| InChIKey | HCJVAJSDWNZAJR-UHFFFAOYSA-N |
Product Overview
SM 911 (CAS 99899-46-4), with molecular formula C25H34ClN5O3 and molecular weight 487.24 g/mol. IUPAC: 1-adamantyl-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]methanone;hydrochloride.
Chemical Property Profile of SM 911
Property Insights of SM 911
The XLogP value of 3.52 indicates that SM 911 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.8 Ų falls within the moderate polarity range, balancing permeability and solubility for SM 911. Following Lipinski's Rule of Five, SM 911 has 2 hydrogen bond donor(s) and 7 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 SM 911?
The CAS number of SM 911 is 99899-46-4.
What is the molecular formula of SM 911?
The molecular formula of SM 911 is C25H34ClN5O3.
What is the molecular weight of SM 911?
The molecular weight of SM 911 is 487.24 g/mol.
Where can I buy SM 911?
You can request a quote for SM 911 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SM 911?
Yes, KEHONG BIO provides custom synthesis services for SM 911 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.