CBKinase1_001265
TL;DR: CBKinase1_001265 (CAS 355804-95-4) is a chemical compound with molecular formula C16H17ClN4O5S and molecular weight 412.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: CBKinase1_001265, CBKinase1_013665, BAS 00924111, BRD-K31478290-001-01-3, ethyl 2-(2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C16H17ClN4O5S |
|---|---|
| Molecular Weight | 412.06 g/mol |
| LogP | 3.11872 |
| Topological Polar Surface Area | 116.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.06082 |
| Heavy Atoms | 27 |
| Complexity | 935.87604 |
Chemical Identifiers
| CAS Number | 355804-95-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CN3C(=C(C(=N3)[N+](=O)[O-])Cl)C |
Product Overview
CBKinase1_001265 (CAS 355804-95-4), with molecular formula C16H17ClN4O5S and molecular weight 412.06 g/mol. IUPAC: ethyl 2-[[2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_001265
Property Insights of CBKinase1_001265
The XLogP value of 3.11872 indicates that CBKinase1_001265 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.36 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_001265. Following Lipinski's Rule of Five, CBKinase1_001265 has 1 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_001265?
The CAS number of CBKinase1_001265 is 355804-95-4.
What is the molecular formula of CBKinase1_001265?
The molecular formula of CBKinase1_001265 is C16H17ClN4O5S.
What is the molecular weight of CBKinase1_001265?
The molecular weight of CBKinase1_001265 is 412.06 g/mol.
Where can I buy CBKinase1_001265?
You can request a quote for CBKinase1_001265 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_001265?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_001265 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.