CBKinase1_001036
TL;DR: CBKinase1_001036 (CAS 267665-53-2) is a chemical compound with molecular formula C26H22BrN3O3S and molecular weight 535.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-13,13-dimethyl-6-phenyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one
Also Known As: CBKinase1_001036, CBKinase1_013436, BRD-K40007998-001-01-4, 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-8,8-dimethyl-3-phenyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one, 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-8,8-dimethyl-3-phenyl-6,9-dihydropyrano[3,4]pyrido[3,5-b]pyrimidin-4-one
| Molecular Formula | C26H22BrN3O3S |
|---|---|
| Molecular Weight | 535.06 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 97.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 535.0565 |
| Heavy Atoms | 34 |
| Complexity | 807.0 |
Chemical Identifiers
| CAS Number | 267665-53-2 |
|---|---|
| SMILES | CC1(CC2=NC3=C(C=C2CO1)C(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)Br)C5=CC=CC=C5)C |
| InChIKey | ITWWFBWZTFVBJS-UHFFFAOYSA-N |
Product Overview
CBKinase1_001036 (CAS 267665-53-2), with molecular formula C26H22BrN3O3S and molecular weight 535.06 g/mol. IUPAC: 5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-13,13-dimethyl-6-phenyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one.
Chemical Property Profile of CBKinase1_001036
Property Insights of CBKinase1_001036
The XLogP value of 5.1 indicates that CBKinase1_001036 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.2 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_001036. Following Lipinski's Rule of Five, CBKinase1_001036 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_001036?
The CAS number of CBKinase1_001036 is 267665-53-2.
What is the molecular formula of CBKinase1_001036?
The molecular formula of CBKinase1_001036 is C26H22BrN3O3S.
What is the molecular weight of CBKinase1_001036?
The molecular weight of CBKinase1_001036 is 535.06 g/mol.
Where can I buy CBKinase1_001036?
You can request a quote for CBKinase1_001036 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_001036?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_001036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.