CBKinase1_004546
TL;DR: CBKinase1_004546 (CAS 756831-52-4) is a chemical compound with molecular formula C21H27N3O4S and molecular weight 417.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(4-phenoxyphenyl)methanesulfonamide
Also Known As: CBKinase1_004546, CBKinase1_016946, BAS 06741921, BRD-A51965349-001-01-7, N-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(4-phenoxyphenyl)methanesulfonamide
| Molecular Formula | C21H27N3O4S |
|---|---|
| Molecular Weight | 417.17 g/mol |
| LogP | 2.4074 |
| Topological Polar Surface Area | 70.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.17224 |
| Heavy Atoms | 29 |
| Complexity | 924.1584 |
Chemical Identifiers
| CAS Number | 756831-52-4 |
|---|---|
| SMILES | CC(C(=O)N1CCN(CC1)C)N(C2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C |
Product Overview
CBKinase1_004546 (CAS 756831-52-4), with molecular formula C21H27N3O4S and molecular weight 417.17 g/mol. IUPAC: N-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(4-phenoxyphenyl)methanesulfonamide.
Chemical Property Profile of CBKinase1_004546
Property Insights of CBKinase1_004546
The XLogP value of 2.4074 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_004546. The TPSA of 70.16 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004546. Following Lipinski's Rule of Five, CBKinase1_004546 has 0 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_004546?
The CAS number of CBKinase1_004546 is 756831-52-4.
What is the molecular formula of CBKinase1_004546?
The molecular formula of CBKinase1_004546 is C21H27N3O4S.
What is the molecular weight of CBKinase1_004546?
The molecular weight of CBKinase1_004546 is 417.17 g/mol.
Where can I buy CBKinase1_004546?
You can request a quote for CBKinase1_004546 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004546?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004546 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.