CBKinase1_004969
TL;DR: CBKinase1_004969 (CAS 642994-79-4) is a chemical compound with molecular formula C20H19N3O2S2 and molecular weight 397.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethyl-2-[(2-naphthalen-1-ylacetyl)carbamothioylamino]thiophene-3-carboxamide
Also Known As: CBKinase1_004969, CBKinase1_017369, AN-329/41562804, BRD-K90516317-001-01-7, 4,5-dimethyl-2-[(2-naphthalen-1-ylacetyl)carbamothioylamino]thiophene-3-carboxamide
| Molecular Formula | C20H19N3O2S2 |
|---|---|
| Molecular Weight | 397.09 g/mol |
| LogP | 3.67274 |
| Topological Polar Surface Area | 84.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.09186 |
| Heavy Atoms | 27 |
| Complexity | 1051.3115 |
Chemical Identifiers
| CAS Number | 642994-79-4 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)CC2=CC=CC3=CC=CC=C32)C |
Product Overview
CBKinase1_004969 (CAS 642994-79-4), with molecular formula C20H19N3O2S2 and molecular weight 397.09 g/mol. IUPAC: 4,5-dimethyl-2-[(2-naphthalen-1-ylacetyl)carbamothioylamino]thiophene-3-carboxamide.
Chemical Property Profile of CBKinase1_004969
Property Insights of CBKinase1_004969
The XLogP value of 3.67274 indicates that CBKinase1_004969 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.22 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004969. Following Lipinski's Rule of Five, CBKinase1_004969 has 3 hydrogen bond donor(s) and 4 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_004969?
The CAS number of CBKinase1_004969 is 642994-79-4.
What is the molecular formula of CBKinase1_004969?
The molecular formula of CBKinase1_004969 is C20H19N3O2S2.
What is the molecular weight of CBKinase1_004969?
The molecular weight of CBKinase1_004969 is 397.09 g/mol.
Where can I buy CBKinase1_004969?
You can request a quote for CBKinase1_004969 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004969?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004969 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.