CBKinase1_011452
TL;DR: CBKinase1_011452 (CAS 831207-14-8) is a chemical compound with molecular formula C22H19ClN4O2S2 and molecular weight 470.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-2-[(5,5-dimethyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11,13,15-hexaen-15-yl)sulfanyl]acetamide
Also Known As: CBKinase1_011452, CBKinase1_023852, BRD-K75340575-001-01-8, N-(4-chlorophenyl)-2-((8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)thio)acetamide, N-(4-chlorophenyl)-2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide
| Molecular Formula | C22H19ClN4O2S2 |
|---|---|
| Molecular Weight | 470.06 g/mol |
| LogP | 5.475 |
| Topological Polar Surface Area | 77.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 470.06378 |
| Heavy Atoms | 31 |
| Complexity | 1304.609 |
Chemical Identifiers
| CAS Number | 831207-14-8 |
|---|---|
| SMILES | CC1(CC2=NC3=C(C=C2CO1)C4=C(S3)C(=NC=N4)SCC(=O)NC5=CC=C(C=C5)Cl)C |
Product Overview
CBKinase1_011452 (CAS 831207-14-8), with molecular formula C22H19ClN4O2S2 and molecular weight 470.06 g/mol. IUPAC: N-(4-chlorophenyl)-2-[(5,5-dimethyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11,13,15-hexaen-15-yl)sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_011452
Property Insights of CBKinase1_011452
The XLogP value of 5.475 indicates that CBKinase1_011452 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_011452. Following Lipinski's Rule of Five, CBKinase1_011452 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_011452?
The CAS number of CBKinase1_011452 is 831207-14-8.
What is the molecular formula of CBKinase1_011452?
The molecular formula of CBKinase1_011452 is C22H19ClN4O2S2.
What is the molecular weight of CBKinase1_011452?
The molecular weight of CBKinase1_011452 is 470.06 g/mol.
Where can I buy CBKinase1_011452?
You can request a quote for CBKinase1_011452 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_011452?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_011452 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.