CBKinase1_006579
TL;DR: CBKinase1_006579 (CAS 706775-68-0) is a chemical compound with molecular formula C16H18N2O4S3 and molecular weight 398.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-ethyl-2-[(2-methoxycarbonylthiophen-3-yl)carbamothioylamino]-5-methylthiophene-3-carboxylate
Also Known As: CBKinase1_006579, CBKinase1_018979, methyl 3-({[4-ethyl-3-(methoxycarbonyl)-5-methylthiophen-2-yl]carbamothioyl}amino)thiophene-2-carboxylate, methyl 3-(3-(4-ethyl-3-(methoxycarbonyl)-5-methylthiophen-2-yl)thioureido)thiophene-2-carboxylate, methyl 4-ethyl-2-[({[2-(methoxycarbonyl)(3-thienyl)]amino}thioxomethyl)amino]- 5-methylthiophene-3-carboxylate
| Molecular Formula | C16H18N2O4S3 |
|---|---|
| Molecular Weight | 398.04 g/mol |
| LogP | 4.06252 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.04288 |
| Heavy Atoms | 25 |
| Complexity | 810.407 |
Chemical Identifiers
| CAS Number | 706775-68-0 |
|---|---|
| SMILES | CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(SC=C2)C(=O)OC)C |
Product Overview
CBKinase1_006579 (CAS 706775-68-0), with molecular formula C16H18N2O4S3 and molecular weight 398.04 g/mol. IUPAC: methyl 4-ethyl-2-[(2-methoxycarbonylthiophen-3-yl)carbamothioylamino]-5-methylthiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_006579
Property Insights of CBKinase1_006579
The XLogP value of 4.06252 indicates that CBKinase1_006579 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_006579. Following Lipinski's Rule of Five, CBKinase1_006579 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_006579?
The CAS number of CBKinase1_006579 is 706775-68-0.
What is the molecular formula of CBKinase1_006579?
The molecular formula of CBKinase1_006579 is C16H18N2O4S3.
What is the molecular weight of CBKinase1_006579?
The molecular weight of CBKinase1_006579 is 398.04 g/mol.
Where can I buy CBKinase1_006579?
You can request a quote for CBKinase1_006579 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_006579?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_006579 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.