CBKinase1_006899
TL;DR: CBKinase1_006899 (CAS 701931-54-6) is a chemical compound with molecular formula C17H21N3O4S3 and molecular weight 427.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-(ethylsulfamoyl)phenyl]carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: CBKinase1_006899, CBKinase1_019299, methyl 2-(3-(4-(N-ethylsulfamoyl)phenyl)thioureido)-4,5-dimethylthiophene-3-carboxylate, methyl 2-[[4-(ethylsulfamoyl)phenyl]carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate, methyl 2-({[4-(ethylsulfamoyl)phenyl]carbamothioyl}amino)-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C17H21N3O4S3 |
|---|---|
| Molecular Weight | 427.07 g/mol |
| LogP | 3.25864 |
| Topological Polar Surface Area | 96.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.06943 |
| Heavy Atoms | 27 |
| Complexity | 950.5484 |
Chemical Identifiers
| CAS Number | 701931-54-6 |
|---|---|
| SMILES | CCNS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C(=C(S2)C)C)C(=O)OC |
Product Overview
CBKinase1_006899 (CAS 701931-54-6), with molecular formula C17H21N3O4S3 and molecular weight 427.07 g/mol. IUPAC: methyl 2-[[4-(ethylsulfamoyl)phenyl]carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_006899
Property Insights of CBKinase1_006899
The XLogP value of 3.25864 indicates that CBKinase1_006899 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.53 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_006899. Following Lipinski's Rule of Five, CBKinase1_006899 has 3 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_006899?
The CAS number of CBKinase1_006899 is 701931-54-6.
What is the molecular formula of CBKinase1_006899?
The molecular formula of CBKinase1_006899 is C17H21N3O4S3.
What is the molecular weight of CBKinase1_006899?
The molecular weight of CBKinase1_006899 is 427.07 g/mol.
Where can I buy CBKinase1_006899?
You can request a quote for CBKinase1_006899 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_006899?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_006899 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.