CBKinase1_008003
TL;DR: CBKinase1_008003 (CAS 500279-96-9) is a chemical compound with molecular formula C20H21N5O2S and molecular weight 395.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(7-amino-13,13-dimethyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3,5,7,9-pentaen-5-yl)sulfanyl]-N-phenylacetamide
Also Known As: CBKinase1_008003, CBKinase1_020403, BRD-K09008500-001-01-2, 2-((4-amino-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenylacetamide, 2-[(4-amino-8,8-dimethyl-6,9-dihydropyrano[5,6]pyrido[1,2-c]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
| Molecular Formula | C20H21N5O2S |
|---|---|
| Molecular Weight | 395.14 g/mol |
| LogP | 3.1891 |
| Topological Polar Surface Area | 103.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.1416 |
| Heavy Atoms | 28 |
| Complexity | 1039.6956 |
Chemical Identifiers
| CAS Number | 500279-96-9 |
|---|---|
| SMILES | CC1(CC2=NC3=NC(=NC(=C3C=C2CO1)N)SCC(=O)NC4=CC=CC=C4)C |
Product Overview
CBKinase1_008003 (CAS 500279-96-9), with molecular formula C20H21N5O2S and molecular weight 395.14 g/mol. IUPAC: 2-[(7-amino-13,13-dimethyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3,5,7,9-pentaen-5-yl)sulfanyl]-N-phenylacetamide.
Chemical Property Profile of CBKinase1_008003
Property Insights of CBKinase1_008003
The XLogP value of 3.1891 indicates that CBKinase1_008003 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.02 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008003. Following Lipinski's Rule of Five, CBKinase1_008003 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_008003?
The CAS number of CBKinase1_008003 is 500279-96-9.
What is the molecular formula of CBKinase1_008003?
The molecular formula of CBKinase1_008003 is C20H21N5O2S.
What is the molecular weight of CBKinase1_008003?
The molecular weight of CBKinase1_008003 is 395.14 g/mol.
Where can I buy CBKinase1_008003?
You can request a quote for CBKinase1_008003 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008003?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008003 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.