CBKinase1_007024
TL;DR: CBKinase1_007024 (CAS 895413-75-9) is a chemical compound with molecular formula C16H20BrClN4OS and molecular weight 430.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-(5-chloro-2-methoxyphenyl)thiourea
Also Known As: CBKinase1_007024, CBKinase1_019424, BRD-K96830793-001-01-9, 1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-(5-chloro-2-methoxyphenyl)thiourea, 1-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-3-(5-chloro-2-methoxyphenyl)thiourea
| Molecular Formula | C16H20BrClN4OS |
|---|---|
| Molecular Weight | 430.02 g/mol |
| LogP | 4.30114 |
| Topological Polar Surface Area | 51.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.02298 |
| Heavy Atoms | 24 |
| Complexity | 735.1077 |
Chemical Identifiers
| CAS Number | 895413-75-9 |
|---|---|
| SMILES | CC1=C(C(=NN1CCCNC(=S)NC2=C(C=CC(=C2)Cl)OC)C)Br |
Product Overview
CBKinase1_007024 (CAS 895413-75-9), with molecular formula C16H20BrClN4OS and molecular weight 430.02 g/mol. IUPAC: 1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-(5-chloro-2-methoxyphenyl)thiourea.
Chemical Property Profile of CBKinase1_007024
Property Insights of CBKinase1_007024
The XLogP value of 4.30114 indicates that CBKinase1_007024 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.11 Ų, CBKinase1_007024 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_007024 has 2 hydrogen bond donor(s) and 3 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_007024?
The CAS number of CBKinase1_007024 is 895413-75-9.
What is the molecular formula of CBKinase1_007024?
The molecular formula of CBKinase1_007024 is C16H20BrClN4OS.
What is the molecular weight of CBKinase1_007024?
The molecular weight of CBKinase1_007024 is 430.02 g/mol.
Where can I buy CBKinase1_007024?
You can request a quote for CBKinase1_007024 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007024?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007024 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.