CBKinase1_006667
TL;DR: CBKinase1_006667 (CAS 894987-12-3) is a chemical compound with molecular formula C22H32N4O2S2 and molecular weight 448.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamothioyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Also Known As: CBKinase1_006667, CBKinase1_019067, BRD-K04641784-001-01-2, ethyl 2-({methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate, ethyl 2-(3-methyl-3-((1,3,5-trimethyl-1H-pyrazol-4-yl)methyl)thioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
| Molecular Formula | C22H32N4O2S2 |
|---|---|
| Molecular Weight | 448.20 g/mol |
| LogP | 4.76294 |
| Topological Polar Surface Area | 59.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.19666 |
| Heavy Atoms | 30 |
| Complexity | 932.20294 |
Chemical Identifiers
| CAS Number | 894987-12-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)N(C)CC3=C(N(N=C3C)C)C |
Product Overview
CBKinase1_006667 (CAS 894987-12-3), with molecular formula C22H32N4O2S2 and molecular weight 448.20 g/mol. IUPAC: ethyl 2-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamothioyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_006667
Property Insights of CBKinase1_006667
The XLogP value of 4.76294 indicates that CBKinase1_006667 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.39 Ų, CBKinase1_006667 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_006667 has 1 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_006667?
The CAS number of CBKinase1_006667 is 894987-12-3.
What is the molecular formula of CBKinase1_006667?
The molecular formula of CBKinase1_006667 is C22H32N4O2S2.
What is the molecular weight of CBKinase1_006667?
The molecular weight of CBKinase1_006667 is 448.20 g/mol.
Where can I buy CBKinase1_006667?
You can request a quote for CBKinase1_006667 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_006667?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_006667 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.