CBKinase1_011528
TL;DR: CBKinase1_011528 (CAS 799802-35-0) is a chemical compound with molecular formula C26H26N6O2S2 and molecular weight 518.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-(1H-benzimidazol-2-ylmethylsulfanyl)-4,4-dimethyl-8-morpholin-4-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene
Also Known As: CBKinase1_011528, CBKinase1_023928, BRD-K21191551-001-01-8, 8-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-2,2-dimethyl-5-morpholino-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 8-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
| Molecular Formula | C26H26N6O2S2 |
|---|---|
| Molecular Weight | 518.16 g/mol |
| LogP | 5.096 |
| Topological Polar Surface Area | 89.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 518.1559 |
| Heavy Atoms | 36 |
| Complexity | 1571.955 |
Chemical Identifiers
| CAS Number | 799802-35-0 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=NC3=C2C4=C(S3)C(=NC=N4)SCC5=NC6=CC=CC=C6N5)N7CCOCC7)C |
Product Overview
CBKinase1_011528 (CAS 799802-35-0), with molecular formula C26H26N6O2S2 and molecular weight 518.16 g/mol. IUPAC: 13-(1H-benzimidazol-2-ylmethylsulfanyl)-4,4-dimethyl-8-morpholin-4-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene.
Chemical Property Profile of CBKinase1_011528
Property Insights of CBKinase1_011528
The XLogP value of 5.096 indicates that CBKinase1_011528 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.05 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_011528. Following Lipinski's Rule of Five, CBKinase1_011528 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_011528?
The CAS number of CBKinase1_011528 is 799802-35-0.
What is the molecular formula of CBKinase1_011528?
The molecular formula of CBKinase1_011528 is C26H26N6O2S2.
What is the molecular weight of CBKinase1_011528?
The molecular weight of CBKinase1_011528 is 518.16 g/mol.
Where can I buy CBKinase1_011528?
You can request a quote for CBKinase1_011528 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_011528?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_011528 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.