CBKinase1_009647
TL;DR: CBKinase1_009647 (CAS 713112-06-2) is a chemical compound with molecular formula C22H21N7O2S2 and molecular weight 479.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-[(15,15-dimethyl-16-oxa-19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaen-3-yl)sulfanyl]acetamide
Also Known As: CBKinase1_009647, CBKinase1_022047, BRD-K47983219-001-01-2, N-benzyl-2-((12,12-dimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)acetamide, N-benzyl-2-[(12,12-dimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]acetamide
| Molecular Formula | C22H21N7O2S2 |
|---|---|
| Molecular Weight | 479.12 g/mol |
| LogP | 3.2465 |
| Topological Polar Surface Area | 98.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 479.1198 |
| Heavy Atoms | 33 |
| Complexity | 1503.3424 |
Chemical Identifiers
| CAS Number | 713112-06-2 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C4=NC=NN4C5=NN=C(N35)SCC(=O)NCC6=CC=CC=C6)C |
Product Overview
CBKinase1_009647 (CAS 713112-06-2), with molecular formula C22H21N7O2S2 and molecular weight 479.12 g/mol. IUPAC: N-benzyl-2-[(15,15-dimethyl-16-oxa-19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaen-3-yl)sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_009647
Property Insights of CBKinase1_009647
The XLogP value of 3.2465 indicates that CBKinase1_009647 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.71 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_009647. Following Lipinski's Rule of Five, CBKinase1_009647 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_009647?
The CAS number of CBKinase1_009647 is 713112-06-2.
What is the molecular formula of CBKinase1_009647?
The molecular formula of CBKinase1_009647 is C22H21N7O2S2.
What is the molecular weight of CBKinase1_009647?
The molecular weight of CBKinase1_009647 is 479.12 g/mol.
Where can I buy CBKinase1_009647?
You can request a quote for CBKinase1_009647 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_009647?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_009647 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.