他布比妥
TL;DR: 他布比妥 (CAS 115-44-6) is a chemical compound with molecular formula C11H16N2O3 and molecular weight 224.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
他布比妥
5-butan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: TALBUTAL, Lotusate, Profundol, Talbumalum, Talbutalum
| Molecular Formula | C11H16N2O3 |
|---|---|
| Molecular Weight | 224.12 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.11609 |
| Heavy Atoms | 16 |
| Complexity | 329.0 |
| Melting Point | 109 |
| Solubility | 1810 |
Chemical Identifiers
| CAS Number | 115-44-6 |
|---|---|
| SMILES | CCC(C)C1(C(=O)NC(=O)NC1=O)CC=C |
| InChIKey | BJVVMKUXKQHWJK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
他布比妥 (CAS 115-44-6), with molecular formula C11H16N2O3 and molecular weight 224.12 g/mol. IUPAC: 5-butan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 他布比妥
Property Insights of 他布比妥
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 他布比妥. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 他布比妥. Following Lipinski's Rule of Five, 他布比妥 has 2 hydrogen bond donor(s) and 3 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 他布比妥?
The CAS number of 他布比妥 is 115-44-6.
What is the molecular formula of 他布比妥?
The molecular formula of 他布比妥 is C11H16N2O3.
What is the molecular weight of 他布比妥?
The molecular weight of 他布比妥 is 224.12 g/mol.
Where can I buy 他布比妥?
You can request a quote for 他布比妥 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 他布比妥?
Yes, KEHONG BIO provides custom synthesis services for 他布比妥 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.