ChemDiv2_004761
TL;DR: ChemDiv2_004761 (CAS 1164550-79-1) is a chemical compound with molecular formula C18H19N3O4 and molecular weight 341.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(1-benzylpyrazol-4-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Also Known As: ChemDiv2_004761, IDI1_003476, 3-[(1-benzyl-1H-pyrazol-4-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, 2-[(1-benzylpyrazol-4-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid, 3-((1-benzyl-1H-pyrazol-4-yl)carbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
| Molecular Formula | C18H19N3O4 |
|---|---|
| Molecular Weight | 341.14 g/mol |
| LogP | 1.7481 |
| Topological Polar Surface Area | 93.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.13754 |
| Heavy Atoms | 25 |
| Complexity | 788.62866 |
Chemical Identifiers
| CAS Number | 1164550-79-1 |
|---|---|
| SMILES | C1CC2C(C(C1O2)C(=O)NC3=CN(N=C3)CC4=CC=CC=C4)C(=O)O |
Product Overview
ChemDiv2_004761 (CAS 1164550-79-1), with molecular formula C18H19N3O4 and molecular weight 341.14 g/mol. IUPAC: 3-[(1-benzylpyrazol-4-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid.
Chemical Property Profile of ChemDiv2_004761
Property Insights of ChemDiv2_004761
The XLogP value of 1.7481 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_004761. The TPSA of 93.45 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004761. Following Lipinski's Rule of Five, ChemDiv2_004761 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 ChemDiv2_004761?
The CAS number of ChemDiv2_004761 is 1164550-79-1.
What is the molecular formula of ChemDiv2_004761?
The molecular formula of ChemDiv2_004761 is C18H19N3O4.
What is the molecular weight of ChemDiv2_004761?
The molecular weight of ChemDiv2_004761 is 341.14 g/mol.
Where can I buy ChemDiv2_004761?
You can request a quote for ChemDiv2_004761 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004761?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004761 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.