CBKinase1_007798
TL;DR: CBKinase1_007798 (CAS 489401-05-0) is a chemical compound with molecular formula C19H19BrN4OS3 and molecular weight 493.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-amino-12,12-dimethyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]-N-(4-bromophenyl)acetamide
Also Known As: CBKinase1_007798, CBKinase1_020198, 2-((4-amino-6,6-dimethyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-bromophenyl)acetamide, 2-[(4-amino-6,6-dimethyl-5,8-dihydro-6H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-bromophenyl)acetamide, 2-[(4-amino-6,6-dimethyl-5,8-dihydrothiopyrano[4,5]thieno[1,2-c]pyrimidin-2-yl)sulfanyl]-N-(4-bromophenyl)acetamide
| Molecular Formula | C19H19BrN4OS3 |
|---|---|
| Molecular Weight | 493.99 g/mol |
| LogP | 5.3347 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 493.99045 |
| Heavy Atoms | 28 |
| Complexity | 1049.5085 |
Chemical Identifiers
| CAS Number | 489401-05-0 |
|---|---|
| SMILES | CC1(CC2=C(CS1)SC3=NC(=NC(=C23)N)SCC(=O)NC4=CC=C(C=C4)Br)C |
Product Overview
CBKinase1_007798 (CAS 489401-05-0), with molecular formula C19H19BrN4OS3 and molecular weight 493.99 g/mol. IUPAC: 2-[(3-amino-12,12-dimethyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]-N-(4-bromophenyl)acetamide.
Chemical Property Profile of CBKinase1_007798
Property Insights of CBKinase1_007798
The XLogP value of 5.3347 indicates that CBKinase1_007798 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_007798. Following Lipinski's Rule of Five, CBKinase1_007798 has 2 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_007798?
The CAS number of CBKinase1_007798 is 489401-05-0.
What is the molecular formula of CBKinase1_007798?
The molecular formula of CBKinase1_007798 is C19H19BrN4OS3.
What is the molecular weight of CBKinase1_007798?
The molecular weight of CBKinase1_007798 is 493.99 g/mol.
Where can I buy CBKinase1_007798?
You can request a quote for CBKinase1_007798 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007798?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007798 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.