曲尼司特
TL;DR: 曲尼司特 (CAS 53902-12-8) is a chemical compound with molecular formula C18H17NO5 and molecular weight 327.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
曲尼司特
2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]benzoic acid
Also Known As: tranilast, trans-Tranilast, Rizaben, Tranpro, cis-Tranilast
| Molecular Formula | C18H17NO5 |
|---|---|
| Molecular Weight | 327.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 327.1107 |
| Heavy Atoms | 24 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 53902-12-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=CC(=O)NC2=CC=CC=C2C(=O)O)OC |
| InChIKey | NZHGWWWHIYHZNX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
曲尼司特 (CAS 53902-12-8), with molecular formula C18H17NO5 and molecular weight 327.11 g/mol. IUPAC: 2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]benzoic acid.
Chemical Property Profile of 曲尼司特
Property Insights of 曲尼司特
The XLogP value of 3.2 indicates that 曲尼司特 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 曲尼司特. Following Lipinski's Rule of Five, 曲尼司特 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 曲尼司特?
The CAS number of 曲尼司特 is 53902-12-8.
What is the molecular formula of 曲尼司特?
The molecular formula of 曲尼司特 is C18H17NO5.
What is the molecular weight of 曲尼司特?
The molecular weight of 曲尼司特 is 327.11 g/mol.
Where can I buy 曲尼司特?
You can request a quote for 曲尼司特 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 曲尼司特?
Yes, KEHONG BIO provides custom synthesis services for 曲尼司特 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.