TI17
TL;DR: TI17 (CAS 1005178-02-8) is a chemical compound with molecular formula C23H22N2O3 and molecular weight 374.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid
Also Known As: TI17, EX-A11502, HY-Q04764, 7-{[4-(4-pyridinylmethyl)anilino]carbonyl}tricyclo[3.2.2.0~2,4~]non-8-ene-6-carboxylic acid, 7-{[4-(pyridin-4-ylmethyl)phenyl]carbamoyl}tricyclo[3.2.2.0~2,4~]non-8-ene-6-carboxylic acid
| Molecular Formula | C23H22N2O3 |
|---|---|
| Molecular Weight | 374.16 g/mol |
| LogP | 3.3798 |
| Topological Polar Surface Area | 79.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.16306 |
| Heavy Atoms | 28 |
| Complexity | 938.0796 |
Chemical Identifiers
| CAS Number | 1005178-02-8 |
|---|---|
| SMILES | C1C2C1C3C=CC2C(C3C(=O)O)C(=O)NC4=CC=C(C=C4)CC5=CC=NC=C5 |
Product Overview
TI17 (CAS 1005178-02-8), with molecular formula C23H22N2O3 and molecular weight 374.16 g/mol. IUPAC: 7-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid.
Chemical Property Profile of TI17
Property Insights of TI17
The XLogP value of 3.3798 indicates that TI17 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.29 Ų falls within the moderate polarity range, balancing permeability and solubility for TI17. Following Lipinski's Rule of Five, TI17 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 TI17?
The CAS number of TI17 is 1005178-02-8.
What is the molecular formula of TI17?
The molecular formula of TI17 is C23H22N2O3.
What is the molecular weight of TI17?
The molecular weight of TI17 is 374.16 g/mol.
Where can I buy TI17?
You can request a quote for TI17 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TI17?
Yes, KEHONG BIO provides custom synthesis services for TI17 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.