乌洛托品
TL;DR: 乌洛托品 (CAS 100-97-0) is a chemical compound with molecular formula C6H12N4 and molecular weight 140.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乌洛托品
1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
Also Known As: methenamine, Hexamethylenetetramine, Hexamine, Urotropine, Aminoform
| Molecular Formula | C6H12N4 |
|---|---|
| Molecular Weight | 140.11 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 13.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 140.1062 |
| Heavy Atoms | 10 |
| Complexity | 84.0 |
| Melting Point | 280.0 °C (sublimes) |
| Boiling Point | Sublimes |
| Density | 1.35 at 20.0 °C |
| Solubility | greater than or equal to 100 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | 250.0 °C |
| Vapor Pressure | 0.004 [mmHg] |
| Refractive Index | 1.590 /monoclinic, isometric/ |
Chemical Identifiers
| CAS Number | 100-97-0 |
|---|---|
| SMILES | C1N2CN3CN1CN(C2)C3 |
| InChIKey | VKYKSIONXSXAKP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乌洛托品 (CAS 100-97-0), with molecular formula C6H12N4 and molecular weight 140.11 g/mol. IUPAC: 1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of 乌洛托品
Property Insights of 乌洛托品
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乌洛托品. With a topological polar surface area (TPSA) of 13.0 Ų, 乌洛托品 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乌洛托品 has 0 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 乌洛托品?
The CAS number of 乌洛托品 is 100-97-0.
What is the molecular formula of 乌洛托品?
The molecular formula of 乌洛托品 is C6H12N4.
What is the molecular weight of 乌洛托品?
The molecular weight of 乌洛托品 is 140.11 g/mol.
Where can I buy 乌洛托品?
You can request a quote for 乌洛托品 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乌洛托品?
Yes, KEHONG BIO provides custom synthesis services for 乌洛托品 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.