CBKinase1_012372
TL;DR: CBKinase1_012372 (CAS 836666-10-5) is a chemical compound with molecular formula C21H28N6OS and molecular weight 412.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N',N'-dimethyl-N-(7-morpholin-4-yl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)propane-1,3-diamine
Also Known As: CBKinase1_012372, CBKinase1_024772, BRD-K79859618-001-01-2, N1,N1-dimethyl-N3-(4-morpholino-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)propane-1,3-diamine, N,N-dimethyl-N'-[4-(morpholin-4-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]propane-1,3-diamine
| Molecular Formula | C21H28N6OS |
|---|---|
| Molecular Weight | 412.20 g/mol |
| LogP | 2.9284 |
| Topological Polar Surface Area | 66.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.20453 |
| Heavy Atoms | 29 |
| Complexity | 1027.0964 |
Chemical Identifiers
| CAS Number | 836666-10-5 |
|---|---|
| SMILES | CN(C)CCCNC1=NC=NC2=C1SC3=C2C4=C(CCC4)C(=N3)N5CCOCC5 |
Product Overview
CBKinase1_012372 (CAS 836666-10-5), with molecular formula C21H28N6OS and molecular weight 412.20 g/mol. IUPAC: N',N'-dimethyl-N-(7-morpholin-4-yl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)propane-1,3-diamine.
Chemical Property Profile of CBKinase1_012372
Property Insights of CBKinase1_012372
The XLogP value of 2.9284 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_012372. The TPSA of 66.41 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_012372. Following Lipinski's Rule of Five, CBKinase1_012372 has 1 hydrogen bond donor(s) and 8 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_012372?
The CAS number of CBKinase1_012372 is 836666-10-5.
What is the molecular formula of CBKinase1_012372?
The molecular formula of CBKinase1_012372 is C21H28N6OS.
What is the molecular weight of CBKinase1_012372?
The molecular weight of CBKinase1_012372 is 412.20 g/mol.
Where can I buy CBKinase1_012372?
You can request a quote for CBKinase1_012372 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_012372?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_012372 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.