CBKinase1_004849
TL;DR: CBKinase1_004849 (CAS 642425-13-6) is a chemical compound with molecular formula C22H20ClN3O3S2 and molecular weight 473.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide
Also Known As: CBKinase1_004849, CBKinase1_017249, BRD-A90101827-001-01-3, N-[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide, N-((3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamothioyl)-5-(4-chlorophenyl)furan-2-carboxamide
| Molecular Formula | C22H20ClN3O3S2 |
|---|---|
| Molecular Weight | 473.06 g/mol |
| LogP | 5.012 |
| Topological Polar Surface Area | 97.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 473.06348 |
| Heavy Atoms | 31 |
| Complexity | 1167.3821 |
Chemical Identifiers
| CAS Number | 642425-13-6 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Cl |
Product Overview
CBKinase1_004849 (CAS 642425-13-6), with molecular formula C22H20ClN3O3S2 and molecular weight 473.06 g/mol. IUPAC: N-[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide.
Chemical Property Profile of CBKinase1_004849
Property Insights of CBKinase1_004849
The XLogP value of 5.012 indicates that CBKinase1_004849 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.36 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004849. Following Lipinski's Rule of Five, CBKinase1_004849 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_004849?
The CAS number of CBKinase1_004849 is 642425-13-6.
What is the molecular formula of CBKinase1_004849?
The molecular formula of CBKinase1_004849 is C22H20ClN3O3S2.
What is the molecular weight of CBKinase1_004849?
The molecular weight of CBKinase1_004849 is 473.06 g/mol.
Where can I buy CBKinase1_004849?
You can request a quote for CBKinase1_004849 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004849?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004849 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.