CBKinase1_007112
TL;DR: CBKinase1_007112 (CAS 499119-72-1) is a chemical compound with molecular formula C20H22N4O2S2 and molecular weight 414.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-amino-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]-N-(2-methylphenyl)acetamide
Also Known As: CBKinase1_007112, CBKinase1_019512, BRD-K18217308-001-01-2, 2-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(o-tolyl)acetamide, 2-[(4-amino-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide
| Molecular Formula | C20H22N4O2S2 |
|---|---|
| Molecular Weight | 414.12 g/mol |
| LogP | 4.16402 |
| Topological Polar Surface Area | 90.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.1184 |
| Heavy Atoms | 28 |
| Complexity | 1061.7854 |
Chemical Identifiers
| CAS Number | 499119-72-1 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)CSC2=NC(=C3C4=C(COC(C4)(C)C)SC3=N2)N |
Product Overview
CBKinase1_007112 (CAS 499119-72-1), with molecular formula C20H22N4O2S2 and molecular weight 414.12 g/mol. IUPAC: 2-[(3-amino-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]-N-(2-methylphenyl)acetamide.
Chemical Property Profile of CBKinase1_007112
Property Insights of CBKinase1_007112
The XLogP value of 4.16402 indicates that CBKinase1_007112 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.13 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_007112. Following Lipinski's Rule of Five, CBKinase1_007112 has 2 hydrogen bond donor(s) and 7 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_007112?
The CAS number of CBKinase1_007112 is 499119-72-1.
What is the molecular formula of CBKinase1_007112?
The molecular formula of CBKinase1_007112 is C20H22N4O2S2.
What is the molecular weight of CBKinase1_007112?
The molecular weight of CBKinase1_007112 is 414.12 g/mol.
Where can I buy CBKinase1_007112?
You can request a quote for CBKinase1_007112 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007112?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.