CBKinase1_002588
TL;DR: CBKinase1_002588 (CAS 483360-32-3) is a chemical compound with molecular formula C20H19N3O4S2 and molecular weight 429.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: CBKinase1_002588, CBKinase1_014988, BRD-K55536581-001-01-7, ethyl 4-({[(4-hydroxy-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate, ethyl 4-(2-((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamido)benzoate
| Molecular Formula | C20H19N3O4S2 |
|---|---|
| Molecular Weight | 429.08 g/mol |
| LogP | 3.3808 |
| Topological Polar Surface Area | 101.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.0817 |
| Heavy Atoms | 29 |
| Complexity | 1135.0741 |
Chemical Identifiers
| CAS Number | 483360-32-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2 |
Product Overview
CBKinase1_002588 (CAS 483360-32-3), with molecular formula C20H19N3O4S2 and molecular weight 429.08 g/mol. IUPAC: ethyl 4-[[2-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of CBKinase1_002588
Property Insights of CBKinase1_002588
The XLogP value of 3.3808 indicates that CBKinase1_002588 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.15 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_002588. Following Lipinski's Rule of Five, CBKinase1_002588 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_002588?
The CAS number of CBKinase1_002588 is 483360-32-3.
What is the molecular formula of CBKinase1_002588?
The molecular formula of CBKinase1_002588 is C20H19N3O4S2.
What is the molecular weight of CBKinase1_002588?
The molecular weight of CBKinase1_002588 is 429.08 g/mol.
Where can I buy CBKinase1_002588?
You can request a quote for CBKinase1_002588 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002588?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002588 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.