CBKinase1_007045
TL;DR: CBKinase1_007045 (CAS 708219-95-8) is a chemical compound with molecular formula C18H21BrN4O3S2 and molecular weight 484.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5-bromo-2-pyridinyl)carbamothioylamino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
Also Known As: CBKinase1_007045, CBKinase1_019445, BRD-K38773616-001-01-7, methyl 2-(3-(5-bromopyridin-2-yl)thioureido)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate, methyl 2-[(5-bromopyridin-2-yl)carbamothioylamino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
| Molecular Formula | C18H21BrN4O3S2 |
|---|---|
| Molecular Weight | 484.02 g/mol |
| LogP | 4.29152 |
| Topological Polar Surface Area | 83.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 484.02386 |
| Heavy Atoms | 28 |
| Complexity | 879.70105 |
Chemical Identifiers
| CAS Number | 708219-95-8 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=NC=C(C=C2)Br)C(=O)OC)C |
Product Overview
CBKinase1_007045 (CAS 708219-95-8), with molecular formula C18H21BrN4O3S2 and molecular weight 484.02 g/mol. IUPAC: methyl 2-[(5-bromo-2-pyridinyl)carbamothioylamino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_007045
Property Insights of CBKinase1_007045
The XLogP value of 4.29152 indicates that CBKinase1_007045 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.56 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_007045. Following Lipinski's Rule of Five, CBKinase1_007045 has 2 hydrogen bond donor(s) and 6 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_007045?
The CAS number of CBKinase1_007045 is 708219-95-8.
What is the molecular formula of CBKinase1_007045?
The molecular formula of CBKinase1_007045 is C18H21BrN4O3S2.
What is the molecular weight of CBKinase1_007045?
The molecular weight of CBKinase1_007045 is 484.02 g/mol.
Where can I buy CBKinase1_007045?
You can request a quote for CBKinase1_007045 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007045?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007045 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.