CBKinase1_006556
TL;DR: CBKinase1_006556 (CAS 701273-86-1) is a chemical compound with molecular formula C17H21N5O3S2 and molecular weight 407.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(diethylcarbamoyl)-4-methyl-2-(pyrazin-2-ylcarbamothioylamino)thiophene-3-carboxylate
Also Known As: CBKinase1_006556, CBKinase1_018956, BRD-K32774159-001-01-4, methyl 5-(diethylcarbamoyl)-4-methyl-2-(3-(pyrazin-2-yl)thioureido)thiophene-3-carboxylate, methyl 5-(diethylcarbamoyl)-4-methyl-2-(pyrazin-2-ylcarbamothioylamino)thiophene-3-carboxylate
| Molecular Formula | C17H21N5O3S2 |
|---|---|
| Molecular Weight | 407.11 g/mol |
| LogP | 2.92402 |
| Topological Polar Surface Area | 96.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.10858 |
| Heavy Atoms | 27 |
| Complexity | 834.5945 |
Chemical Identifiers
| CAS Number | 701273-86-1 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=NC=CN=C2)C(=O)OC)C |
Product Overview
CBKinase1_006556 (CAS 701273-86-1), with molecular formula C17H21N5O3S2 and molecular weight 407.11 g/mol. IUPAC: methyl 5-(diethylcarbamoyl)-4-methyl-2-(pyrazin-2-ylcarbamothioylamino)thiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_006556
Property Insights of CBKinase1_006556
The XLogP value of 2.92402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_006556. The TPSA of 96.45 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_006556. Following Lipinski's Rule of Five, CBKinase1_006556 has 2 hydrogen bond donor(s) and 7 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_006556?
The CAS number of CBKinase1_006556 is 701273-86-1.
What is the molecular formula of CBKinase1_006556?
The molecular formula of CBKinase1_006556 is C17H21N5O3S2.
What is the molecular weight of CBKinase1_006556?
The molecular weight of CBKinase1_006556 is 407.11 g/mol.
Where can I buy CBKinase1_006556?
You can request a quote for CBKinase1_006556 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_006556?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_006556 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.