BAS 00284396
TL;DR: BAS 00284396 (CAS 497819-89-3) is a chemical compound with molecular formula C16H14F3NO3 and molecular weight 325.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-(trifluoromethyl)phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: BAS 00284396, 3-({[3-(trifluoromethyl)phenyl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[[[3-(trifluoromethyl)phenyl]amino]carbonyl]-, 2-[[3-(trifluoromethyl)phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid, 3-(3-Trifluoromethyl-phenylcarbamoyl)-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
| Molecular Formula | C16H14F3NO3 |
|---|---|
| Molecular Weight | 325.09 g/mol |
| LogP | 3.1668 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.0926 |
| Heavy Atoms | 23 |
| Complexity | 683.3932 |
Chemical Identifiers
| CAS Number | 497819-89-3 |
|---|---|
| SMILES | C1C2C=CC1C(C2C(=O)NC3=CC=CC(=C3)C(F)(F)F)C(=O)O |
Product Overview
BAS 00284396 (CAS 497819-89-3), with molecular formula C16H14F3NO3 and molecular weight 325.09 g/mol. IUPAC: 3-[[3-(trifluoromethyl)phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
Chemical Property Profile of BAS 00284396
Property Insights of BAS 00284396
The XLogP value of 3.1668 indicates that BAS 00284396 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00284396. Following Lipinski's Rule of Five, BAS 00284396 has 2 hydrogen bond donor(s) and 2 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 BAS 00284396?
The CAS number of BAS 00284396 is 497819-89-3.
What is the molecular formula of BAS 00284396?
The molecular formula of BAS 00284396 is C16H14F3NO3.
What is the molecular weight of BAS 00284396?
The molecular weight of BAS 00284396 is 325.09 g/mol.
Where can I buy BAS 00284396?
You can request a quote for BAS 00284396 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00284396?
Yes, KEHONG BIO provides custom synthesis services for BAS 00284396 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.