NPE587
TL;DR: NPE587 (CAS 345288-38-2) is a chemical compound with molecular formula C20H22N2O3S and molecular weight 370.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
Also Known As: NPE587, BIM-0049505.P001, 3-{[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]carbamoyl}bicyclo[2.2.1]heptane-2-carboxylic acid, 3-({[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid, 3-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
| Molecular Formula | C20H22N2O3S |
|---|---|
| Molecular Weight | 370.14 g/mol |
| LogP | 4.11234 |
| Topological Polar Surface Area | 79.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.1351 |
| Heavy Atoms | 26 |
| Complexity | 875.6913 |
Chemical Identifiers
| CAS Number | 345288-38-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3C4CCC(C4)C3C(=O)O)C |
Product Overview
NPE587 (CAS 345288-38-2), with molecular formula C20H22N2O3S and molecular weight 370.14 g/mol. IUPAC: 3-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid.
Chemical Property Profile of NPE587
Property Insights of NPE587
The XLogP value of 4.11234 indicates that NPE587 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 NPE587. Following Lipinski's Rule of Five, NPE587 has 2 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 NPE587?
The CAS number of NPE587 is 345288-38-2.
What is the molecular formula of NPE587?
The molecular formula of NPE587 is C20H22N2O3S.
What is the molecular weight of NPE587?
The molecular weight of NPE587 is 370.14 g/mol.
Where can I buy NPE587?
You can request a quote for NPE587 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NPE587?
Yes, KEHONG BIO provides custom synthesis services for NPE587 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.