CBKinase1_000361
TL;DR: CBKinase1_000361 (CAS 354989-77-8) is a chemical compound with molecular formula C16H17N5O3S and molecular weight 359.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
Also Known As: CBKinase1_000361, CBKinase1_012761, BAS 00318460, AB00093239-01, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}acetamide
| Molecular Formula | C16H17N5O3S |
|---|---|
| Molecular Weight | 359.11 g/mol |
| LogP | 2.85882 |
| Topological Polar Surface Area | 113.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.10522 |
| Heavy Atoms | 25 |
| Complexity | 905.9925 |
Chemical Identifiers
| CAS Number | 354989-77-8 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)NC2=C(C3=C(S2)CCCC3)C#N)C)[N+](=O)[O-] |
Product Overview
CBKinase1_000361 (CAS 354989-77-8), with molecular formula C16H17N5O3S and molecular weight 359.11 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide.
Chemical Property Profile of CBKinase1_000361
Property Insights of CBKinase1_000361
The XLogP value of 2.85882 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_000361. The TPSA of 113.85 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_000361. Following Lipinski's Rule of Five, CBKinase1_000361 has 1 hydrogen bond donor(s) and 6 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_000361?
The CAS number of CBKinase1_000361 is 354989-77-8.
What is the molecular formula of CBKinase1_000361?
The molecular formula of CBKinase1_000361 is C16H17N5O3S.
What is the molecular weight of CBKinase1_000361?
The molecular weight of CBKinase1_000361 is 359.11 g/mol.
Where can I buy CBKinase1_000361?
You can request a quote for CBKinase1_000361 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_000361?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_000361 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.