托卡朋
TL;DR: 托卡朋 (CAS 1246816-93-2) is a chemical compound with molecular formula C14H11NO5 and molecular weight 273.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
托卡朋
(3,4-dihydroxy-5-nitrophenyl)-(4-methylphenyl)methanone
Also Known As: Tolcapone, Tasmar, Talcapone, Tolcapona, Tolcaponum
| Molecular Formula | C14H11NO5 |
|---|---|
| Molecular Weight | 273.06 g/mol |
| LogP | 2.54542 |
| Topological Polar Surface Area | 100.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.06372 |
| Heavy Atoms | 20 |
| Complexity | 691.4556 |
Chemical Identifiers
| CAS Number | 1246816-93-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-] |
Product Overview
托卡朋 (CAS 1246816-93-2), with molecular formula C14H11NO5 and molecular weight 273.06 g/mol. IUPAC: (3,4-dihydroxy-5-nitrophenyl)-(4-methylphenyl)methanone.
Chemical Property Profile of 托卡朋
Property Insights of 托卡朋
The XLogP value of 2.54542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 托卡朋. The TPSA of 100.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 托卡朋. Following Lipinski's Rule of Five, 托卡朋 has 2 hydrogen bond donor(s) and 5 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 托卡朋?
The CAS number of 托卡朋 is 1246816-93-2.
What is the molecular formula of 托卡朋?
The molecular formula of 托卡朋 is C14H11NO5.
What is the molecular weight of 托卡朋?
The molecular weight of 托卡朋 is 273.06 g/mol.
Where can I buy 托卡朋?
You can request a quote for 托卡朋 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 托卡朋?
Yes, KEHONG BIO provides custom synthesis services for 托卡朋 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.