CBKinase1_003728
TL;DR: CBKinase1_003728 (CAS 496023-63-3) is a chemical compound with molecular formula C21H22N4O3S and molecular weight 410.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
20-[2-(2-hydroxyethoxy)ethylamino]-10-thia-1,12,21-triazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-3(11),4(9),12,14,16,18,20-heptaen-2-one
Also Known As: CBKinase1_003728, CBKinase1_016128, BRD-K06116697-001-01-9, 20-{[2-(2-hydroxyethoxy)ethyl]amino}-10-thia-1,12,21-triazapentacyclo[11.8.0.0^{3,11}.0^{4,9}.0^{14,19}]henicosa-3(11),4(9),12,14(19),15,17,20-heptaen-2-one, 5-{[2-(2-hydroxyethoxy)ethyl]amino}-7,9,10,11,12-pentahydrobenzo[b]thiopheno[2 ,3-d]phthalazino[2,1-a]pyrimidin-8-one
| Molecular Formula | C21H22N4O3S |
|---|---|
| Molecular Weight | 410.14 g/mol |
| LogP | 2.757 |
| Topological Polar Surface Area | 88.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.14127 |
| Heavy Atoms | 29 |
| Complexity | 1263.9662 |
Chemical Identifiers
| CAS Number | 496023-63-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C4C5=CC=CC=C5C(=NN4C3=O)NCCOCCO |
Product Overview
CBKinase1_003728 (CAS 496023-63-3), with molecular formula C21H22N4O3S and molecular weight 410.14 g/mol. IUPAC: 20-[2-(2-hydroxyethoxy)ethylamino]-10-thia-1,12,21-triazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-3(11),4(9),12,14,16,18,20-heptaen-2-one.
Chemical Property Profile of CBKinase1_003728
Property Insights of CBKinase1_003728
The XLogP value of 2.757 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_003728. The TPSA of 88.75 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_003728. Following Lipinski's Rule of Five, CBKinase1_003728 has 2 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_003728?
The CAS number of CBKinase1_003728 is 496023-63-3.
What is the molecular formula of CBKinase1_003728?
The molecular formula of CBKinase1_003728 is C21H22N4O3S.
What is the molecular weight of CBKinase1_003728?
The molecular weight of CBKinase1_003728 is 410.14 g/mol.
Where can I buy CBKinase1_003728?
You can request a quote for CBKinase1_003728 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003728?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003728 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.