CBKinase1_003712
TL;DR: CBKinase1_003712 (CAS 693808-22-9) is a chemical compound with molecular formula C15H14N4O3S2 and molecular weight 362.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-cyano-3-methyl-5-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-2-carboxylate
Also Known As: CBKinase1_003712, CBKinase1_016112, BRD-K18079694-001-01-8, ethyl 4-cyano-3-methyl-5-(2-(pyrimidin-2-ylthio)acetamido)thiophene-2-carboxylate, ethyl 4-cyano-3-methyl-5-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-2-carboxylate
| Molecular Formula | C15H14N4O3S2 |
|---|---|
| Molecular Weight | 362.05 g/mol |
| LogP | 2.6257 |
| Topological Polar Surface Area | 104.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 362.05072 |
| Heavy Atoms | 24 |
| Complexity | 784.00714 |
Chemical Identifiers
| CAS Number | 693808-22-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC=CC=N2)C#N)C |
Product Overview
CBKinase1_003712 (CAS 693808-22-9), with molecular formula C15H14N4O3S2 and molecular weight 362.05 g/mol. IUPAC: ethyl 4-cyano-3-methyl-5-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-2-carboxylate.
Chemical Property Profile of CBKinase1_003712
Property Insights of CBKinase1_003712
The XLogP value of 2.6257 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_003712. The TPSA of 104.97 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_003712. Following Lipinski's Rule of Five, CBKinase1_003712 has 1 hydrogen bond donor(s) and 8 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_003712?
The CAS number of CBKinase1_003712 is 693808-22-9.
What is the molecular formula of CBKinase1_003712?
The molecular formula of CBKinase1_003712 is C15H14N4O3S2.
What is the molecular weight of CBKinase1_003712?
The molecular weight of CBKinase1_003712 is 362.05 g/mol.
Where can I buy CBKinase1_003712?
You can request a quote for CBKinase1_003712 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003712?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003712 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.