CBKinase1_004001
TL;DR: CBKinase1_004001 (CAS 694451-21-3) is a chemical compound with molecular formula C22H27N3O6S and molecular weight 461.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
Also Known As: CBKinase1_004001, CBKinase1_016401, BRD-K81090840-001-01-0, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}methanesulfonamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
| Molecular Formula | C22H27N3O6S |
|---|---|
| Molecular Weight | 461.16 g/mol |
| LogP | 1.5812 |
| Topological Polar Surface Area | 88.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 461.16205 |
| Heavy Atoms | 32 |
| Complexity | 1082.8237 |
Chemical Identifiers
| CAS Number | 694451-21-3 |
|---|---|
| SMILES | COC1=CC=CC=C1N2CCN(CC2)C(=O)CN(C3=CC4=C(C=C3)OCCO4)S(=O)(=O)C |
Product Overview
CBKinase1_004001 (CAS 694451-21-3), with molecular formula C22H27N3O6S and molecular weight 461.16 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide.
Chemical Property Profile of CBKinase1_004001
Property Insights of CBKinase1_004001
The XLogP value of 1.5812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_004001. The TPSA of 88.62 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004001. Following Lipinski's Rule of Five, CBKinase1_004001 has 0 hydrogen bond donor(s) and 7 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_004001?
The CAS number of CBKinase1_004001 is 694451-21-3.
What is the molecular formula of CBKinase1_004001?
The molecular formula of CBKinase1_004001 is C22H27N3O6S.
What is the molecular weight of CBKinase1_004001?
The molecular weight of CBKinase1_004001 is 461.16 g/mol.
Where can I buy CBKinase1_004001?
You can request a quote for CBKinase1_004001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004001?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.