CBKinase1_004601
TL;DR: CBKinase1_004601 (CAS 694496-80-5) is a chemical compound with molecular formula C21H18N2O5 and molecular weight 378.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Also Known As: CBKinase1_004601, CBKinase1_017001, BRD-A20916541-001-01-4, N-[4-(furan-2-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide, N-(4-((furan-2-ylmethyl)carbamoyl)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide
| Molecular Formula | C21H18N2O5 |
|---|---|
| Molecular Weight | 378.12 g/mol |
| LogP | 2.9881 |
| Topological Polar Surface Area | 89.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.12158 |
| Heavy Atoms | 28 |
| Complexity | 966.7257 |
Chemical Identifiers
| CAS Number | 694496-80-5 |
|---|---|
| SMILES | C1C(OC2=CC=CC=C2O1)C(=O)NC3=CC=C(C=C3)C(=O)NCC4=CC=CO4 |
Product Overview
CBKinase1_004601 (CAS 694496-80-5), with molecular formula C21H18N2O5 and molecular weight 378.12 g/mol. IUPAC: N-[4-(furan-2-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
Chemical Property Profile of CBKinase1_004601
Property Insights of CBKinase1_004601
The XLogP value of 2.9881 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_004601. The TPSA of 89.8 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004601. Following Lipinski's Rule of Five, CBKinase1_004601 has 2 hydrogen bond donor(s) and 5 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_004601?
The CAS number of CBKinase1_004601 is 694496-80-5.
What is the molecular formula of CBKinase1_004601?
The molecular formula of CBKinase1_004601 is C21H18N2O5.
What is the molecular weight of CBKinase1_004601?
The molecular weight of CBKinase1_004601 is 378.12 g/mol.
Where can I buy CBKinase1_004601?
You can request a quote for CBKinase1_004601 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004601?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004601 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.