CBKinase1_002118
TL;DR: CBKinase1_002118 (CAS 445289-02-1) is a chemical compound with molecular formula C21H18Cl2N2O4S and molecular weight 464.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxamide
Also Known As: CBKinase1_002118, CBKinase1_014518, N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxamide, BRD-K29186719-001-01-9, N-[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]-5-[(2,5-dichlorophenoxy)methyl]-2-furamide
| Molecular Formula | C21H18Cl2N2O4S |
|---|---|
| Molecular Weight | 464.04 g/mol |
| LogP | 5.4569 |
| Topological Polar Surface Area | 94.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 464.03644 |
| Heavy Atoms | 30 |
| Complexity | 1122.407 |
Chemical Identifiers
| CAS Number | 445289-02-1 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(O3)COC4=C(C=CC(=C4)Cl)Cl)C(=O)N |
Product Overview
CBKinase1_002118 (CAS 445289-02-1), with molecular formula C21H18Cl2N2O4S and molecular weight 464.04 g/mol. IUPAC: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxamide.
Chemical Property Profile of CBKinase1_002118
Property Insights of CBKinase1_002118
The XLogP value of 5.4569 indicates that CBKinase1_002118 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.56 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_002118. Following Lipinski's Rule of Five, CBKinase1_002118 has 2 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_002118?
The CAS number of CBKinase1_002118 is 445289-02-1.
What is the molecular formula of CBKinase1_002118?
The molecular formula of CBKinase1_002118 is C21H18Cl2N2O4S.
What is the molecular weight of CBKinase1_002118?
The molecular weight of CBKinase1_002118 is 464.04 g/mol.
Where can I buy CBKinase1_002118?
You can request a quote for CBKinase1_002118 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002118?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002118 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.