CBKinase1_006989
TL;DR: CBKinase1_006989 (CAS 588712-72-5) is a chemical compound with molecular formula C15H18N2O3S2 and molecular weight 338.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-ethyl-2-(furan-2-ylmethylcarbamothioylamino)-5-methylthiophene-3-carboxylate
Also Known As: CBKinase1_006989, CBKinase1_019389, methyl 4-ethyl-2-({[(furan-2-yl)methyl]carbamothioyl}amino)-5-methylthiophene-3-carboxylate, methyl 4-ethyl-2-(furan-2-ylmethylcarbamothioylamino)-5-methylthiophene-3-carboxylate, methyl 4-ethyl-2-{[(furan-2-ylmethyl)carbamothioyl]amino}-5-methylthiophene-3-carboxylate
| Molecular Formula | C15H18N2O3S2 |
|---|---|
| Molecular Weight | 338.08 g/mol |
| LogP | 3.48512 |
| Topological Polar Surface Area | 63.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.0759 |
| Heavy Atoms | 22 |
| Complexity | 662.63556 |
Chemical Identifiers
| CAS Number | 588712-72-5 |
|---|---|
| SMILES | CCC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC=CO2)C |
Product Overview
CBKinase1_006989 (CAS 588712-72-5), with molecular formula C15H18N2O3S2 and molecular weight 338.08 g/mol. IUPAC: methyl 4-ethyl-2-(furan-2-ylmethylcarbamothioylamino)-5-methylthiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_006989
Property Insights of CBKinase1_006989
The XLogP value of 3.48512 indicates that CBKinase1_006989 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.5 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_006989. Following Lipinski's Rule of Five, CBKinase1_006989 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_006989?
The CAS number of CBKinase1_006989 is 588712-72-5.
What is the molecular formula of CBKinase1_006989?
The molecular formula of CBKinase1_006989 is C15H18N2O3S2.
What is the molecular weight of CBKinase1_006989?
The molecular weight of CBKinase1_006989 is 338.08 g/mol.
Where can I buy CBKinase1_006989?
You can request a quote for CBKinase1_006989 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_006989?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_006989 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.