丁苯那嗪
TL;DR: 丁苯那嗪 (CAS 58-46-8) is a chemical compound with molecular formula C19H27NO3 and molecular weight 317.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁苯那嗪
9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
Also Known As: TETRABENAZINE, Nitoman, Xenazine, Rubigen, Tetrabenzaine
| Molecular Formula | C19H27NO3 |
|---|---|
| Molecular Weight | 317.20 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.1991 |
| Heavy Atoms | 23 |
| Complexity | 425.0 |
| Melting Point | 126 |
| Solubility | Sparingly soluble |
Chemical Identifiers
| CAS Number | 58-46-8 |
|---|---|
| SMILES | CC(C)CC1CN2CCC3=CC(=C(C=C3C2CC1=O)OC)OC |
| InChIKey | MKJIEFSOBYUXJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁苯那嗪 (CAS 58-46-8), with molecular formula C19H27NO3 and molecular weight 317.20 g/mol. IUPAC: 9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one.
Chemical Property Profile of 丁苯那嗪
Property Insights of 丁苯那嗪
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁苯那嗪. With a topological polar surface area (TPSA) of 38.8 Ų, 丁苯那嗪 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁苯那嗪 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 丁苯那嗪?
The CAS number of 丁苯那嗪 is 58-46-8.
What is the molecular formula of 丁苯那嗪?
The molecular formula of 丁苯那嗪 is C19H27NO3.
What is the molecular weight of 丁苯那嗪?
The molecular weight of 丁苯那嗪 is 317.20 g/mol.
Where can I buy 丁苯那嗪?
You can request a quote for 丁苯那嗪 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁苯那嗪?
Yes, KEHONG BIO provides custom synthesis services for 丁苯那嗪 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.