CBKinase1_004235
TL;DR: CBKinase1_004235 (CAS 879462-35-8) is a chemical compound with molecular formula C19H24N4O3S2 and molecular weight 420.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Also Known As: CBKinase1_004235, CBKinase1_016635, methyl 2-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate, BRD-K93592515-001-01-5, A3256/0138368
| Molecular Formula | C19H24N4O3S2 |
|---|---|
| Molecular Weight | 420.13 g/mol |
| LogP | 3.5369 |
| Topological Polar Surface Area | 85.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.129 |
| Heavy Atoms | 28 |
| Complexity | 887.871 |
Chemical Identifiers
| CAS Number | 879462-35-8 |
|---|---|
| SMILES | CCN1C=C(C=N1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCCC3)C(=O)OC |
Product Overview
CBKinase1_004235 (CAS 879462-35-8), with molecular formula C19H24N4O3S2 and molecular weight 420.13 g/mol. IUPAC: methyl 2-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_004235
Property Insights of CBKinase1_004235
The XLogP value of 3.5369 indicates that CBKinase1_004235 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.25 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004235. Following Lipinski's Rule of Five, CBKinase1_004235 has 2 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_004235?
The CAS number of CBKinase1_004235 is 879462-35-8.
What is the molecular formula of CBKinase1_004235?
The molecular formula of CBKinase1_004235 is C19H24N4O3S2.
What is the molecular weight of CBKinase1_004235?
The molecular weight of CBKinase1_004235 is 420.13 g/mol.
Where can I buy CBKinase1_004235?
You can request a quote for CBKinase1_004235 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004235?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004235 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.