CBKinase1_007050
TL;DR: CBKinase1_007050 (CAS 957482-45-0) is a chemical compound with molecular formula C21H22Cl2N4O2S2 and molecular weight 496.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: CBKinase1_007050, CBKinase1_019450, methyl 2-({[1-(3,4-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbamothioyl}amino)-4,5-dimethylthiophene-3-carboxylate, methyl 2-(3-(1-(3,4-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl)thioureido)-4,5-dimethylthiophene-3-carboxylate, methyl 2-[[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C21H22Cl2N4O2S2 |
|---|---|
| Molecular Weight | 496.06 g/mol |
| LogP | 6.12888 |
| Topological Polar Surface Area | 68.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 496.05612 |
| Heavy Atoms | 31 |
| Complexity | 1170.8292 |
Chemical Identifiers
| CAS Number | 957482-45-0 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(N(N=C2C)CC3=CC(=C(C=C3)Cl)Cl)C)C |
Product Overview
CBKinase1_007050 (CAS 957482-45-0), with molecular formula C21H22Cl2N4O2S2 and molecular weight 496.06 g/mol. IUPAC: methyl 2-[[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_007050
Property Insights of CBKinase1_007050
The XLogP value of 6.12888 indicates that CBKinase1_007050 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.18 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_007050. Following Lipinski's Rule of Five, CBKinase1_007050 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_007050?
The CAS number of CBKinase1_007050 is 957482-45-0.
What is the molecular formula of CBKinase1_007050?
The molecular formula of CBKinase1_007050 is C21H22Cl2N4O2S2.
What is the molecular weight of CBKinase1_007050?
The molecular weight of CBKinase1_007050 is 496.06 g/mol.
Where can I buy CBKinase1_007050?
You can request a quote for CBKinase1_007050 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007050?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007050 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.