CBKinase1_001117
TL;DR: CBKinase1_001117 (CAS 312951-93-2) is a chemical compound with molecular formula C20H20BrNO5S and molecular weight 465.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-bromophenyl)-3-methoxycarbonylthiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
Also Known As: CBKinase1_001117, CBKinase1_013517, BIM-0017903.P001, BRD-A40117496-001-01-0, 2-[[4-(4-bromophenyl)-3-methoxycarbonylthiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
| Molecular Formula | C20H20BrNO5S |
|---|---|
| Molecular Weight | 465.02 g/mol |
| LogP | 4.7937 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 465.02457 |
| Heavy Atoms | 28 |
| Complexity | 892.50104 |
Chemical Identifiers
| CAS Number | 312951-93-2 |
|---|---|
| SMILES | COC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C3CCCCC3C(=O)O |
Product Overview
CBKinase1_001117 (CAS 312951-93-2), with molecular formula C20H20BrNO5S and molecular weight 465.02 g/mol. IUPAC: 2-[[4-(4-bromophenyl)-3-methoxycarbonylthiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid.
Chemical Property Profile of CBKinase1_001117
Property Insights of CBKinase1_001117
The XLogP value of 4.7937 indicates that CBKinase1_001117 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_001117. Following Lipinski's Rule of Five, CBKinase1_001117 has 2 hydrogen bond donor(s) and 5 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_001117?
The CAS number of CBKinase1_001117 is 312951-93-2.
What is the molecular formula of CBKinase1_001117?
The molecular formula of CBKinase1_001117 is C20H20BrNO5S.
What is the molecular weight of CBKinase1_001117?
The molecular weight of CBKinase1_001117 is 465.02 g/mol.
Where can I buy CBKinase1_001117?
You can request a quote for CBKinase1_001117 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_001117?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_001117 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.