CBKinase1_006224
TL;DR: CBKinase1_006224 (CAS 701951-80-6) is a chemical compound with molecular formula C18H21N3O5S2 and molecular weight 423.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-ethoxy-2-nitrophenyl)carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate
Also Known As: CBKinase1_006224, CBKinase1_018624, methyl 2-(3-(4-ethoxy-2-nitrophenyl)thioureido)-4-ethyl-5-methylthiophene-3-carboxylate, methyl 2-({[(4-ethoxy-2-nitrophenyl)amino]thioxomethyl}amino)-4-ethyl-5-methyl thiophene-3-carboxylate, Methyl 2-[(4-ethoxy-2-nitro-phenyl)thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate
| Molecular Formula | C18H21N3O5S2 |
|---|---|
| Molecular Weight | 423.09 g/mol |
| LogP | 4.52132 |
| Topological Polar Surface Area | 102.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 423.09225 |
| Heavy Atoms | 28 |
| Complexity | 910.8663 |
Chemical Identifiers
| CAS Number | 701951-80-6 |
|---|---|
| SMILES | CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(C=C(C=C2)OCC)[N+](=O)[O-])C |
Product Overview
CBKinase1_006224 (CAS 701951-80-6), with molecular formula C18H21N3O5S2 and molecular weight 423.09 g/mol. IUPAC: methyl 2-[(4-ethoxy-2-nitrophenyl)carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_006224
Property Insights of CBKinase1_006224
The XLogP value of 4.52132 indicates that CBKinase1_006224 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.73 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_006224. Following Lipinski's Rule of Five, CBKinase1_006224 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_006224?
The CAS number of CBKinase1_006224 is 701951-80-6.
What is the molecular formula of CBKinase1_006224?
The molecular formula of CBKinase1_006224 is C18H21N3O5S2.
What is the molecular weight of CBKinase1_006224?
The molecular weight of CBKinase1_006224 is 423.09 g/mol.
Where can I buy CBKinase1_006224?
You can request a quote for CBKinase1_006224 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_006224?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_006224 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.