CBKinase1_001231
TL;DR: CBKinase1_001231 (CAS 345347-82-2) is a chemical compound with molecular formula C21H25NO5 and molecular weight 371.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-ethoxycarbonylphenyl)carbamoyl]-7-propan-2-ylidenebicyclo[2.2.1]heptane-2-carboxylic acid
Also Known As: CBKinase1_001231, CBKinase1_013631, BRD-A86155479-001-01-6, 2-[(4-ethoxycarbonylphenyl)carbamoyl]-7-propan-2-ylidenebicyclo[2.2.1]heptane-3-carboxylic acid, 3-{[4-(ethoxycarbonyl)anilino]carbonyl}-7-(1-methylethylidene)bicyclo[2.2.1]heptane-2-carboxylic acid
| Molecular Formula | C21H25NO5 |
|---|---|
| Molecular Weight | 371.17 g/mol |
| LogP | 3.495 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.17328 |
| Heavy Atoms | 27 |
| Complexity | 791.2949 |
Chemical Identifiers
| CAS Number | 345347-82-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2C3CCC(C2C(=O)O)C3=C(C)C |
Product Overview
CBKinase1_001231 (CAS 345347-82-2), with molecular formula C21H25NO5 and molecular weight 371.17 g/mol. IUPAC: 3-[(4-ethoxycarbonylphenyl)carbamoyl]-7-propan-2-ylidenebicyclo[2.2.1]heptane-2-carboxylic acid.
Chemical Property Profile of CBKinase1_001231
Property Insights of CBKinase1_001231
The XLogP value of 3.495 indicates that CBKinase1_001231 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_001231. Following Lipinski's Rule of Five, CBKinase1_001231 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 CBKinase1_001231?
The CAS number of CBKinase1_001231 is 345347-82-2.
What is the molecular formula of CBKinase1_001231?
The molecular formula of CBKinase1_001231 is C21H25NO5.
What is the molecular weight of CBKinase1_001231?
The molecular weight of CBKinase1_001231 is 371.17 g/mol.
Where can I buy CBKinase1_001231?
You can request a quote for CBKinase1_001231 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_001231?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_001231 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.