CBKinase1_012381
TL;DR: CBKinase1_012381 (CAS 352705-35-2) is a chemical compound with molecular formula C21H25ClN2O3S and molecular weight 420.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-2-[[2-(2-chlorophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: CBKinase1_012381, CBKinase1_024781, BRD-A89492431-001-01-7, 6-tert-butyl-2-{[(2-chlorophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 6-tert-butyl-2-[[2-(2-chlorophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C21H25ClN2O3S |
|---|---|
| Molecular Weight | 420.13 g/mol |
| LogP | 4.6689 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.12744 |
| Heavy Atoms | 28 |
| Complexity | 901.541 |
Chemical Identifiers
| CAS Number | 352705-35-2 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)COC3=CC=CC=C3Cl |
Product Overview
CBKinase1_012381 (CAS 352705-35-2), with molecular formula C21H25ClN2O3S and molecular weight 420.13 g/mol. IUPAC: 6-tert-butyl-2-[[2-(2-chlorophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of CBKinase1_012381
Property Insights of CBKinase1_012381
The XLogP value of 4.6689 indicates that CBKinase1_012381 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.42 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_012381. Following Lipinski's Rule of Five, CBKinase1_012381 has 2 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_012381?
The CAS number of CBKinase1_012381 is 352705-35-2.
What is the molecular formula of CBKinase1_012381?
The molecular formula of CBKinase1_012381 is C21H25ClN2O3S.
What is the molecular weight of CBKinase1_012381?
The molecular weight of CBKinase1_012381 is 420.13 g/mol.
Where can I buy CBKinase1_012381?
You can request a quote for CBKinase1_012381 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_012381?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_012381 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.