5-25-11-00153 (Beilstein Handbook Reference)
TL;DR: 5-25-11-00153 (Beilstein Handbook Reference) (CAS 67026-70-4) is a chemical compound with molecular formula C16H19ClN6 and molecular weight 330.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-1-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-cyanoguanidine
Also Known As: 5-25-11-00153 (Beilstein Handbook Reference), Guanidine, 1-tert-butyl-3-(3-(p-chlorophenyl)-1-methyl-5-pyrazolyl)-2-cyano-, Guanidine, N-(3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-yl)-N'-cyano-N''-(1,1-dimethylethyl)-, N-(3-(4-Chlorophenyl)-1-methyl-1H-pyrazol-5-yl)-N'-cyano-N''-(1,1-dimethylethyl)guanidine, 2-tert-butyl-1-[5-(4-chlorophenyl)-2-methylpyrazol-3-yl]-3-cyanoguanidine
| Molecular Formula | C16H19ClN6 |
|---|---|
| Molecular Weight | 330.14 g/mol |
| LogP | 3.37758 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.136 |
| Heavy Atoms | 23 |
| Complexity | 746.35815 |
Chemical Identifiers
| CAS Number | 67026-70-4 |
|---|---|
| SMILES | CC(C)(C)N=C(NC#N)NC1=CC(=NN1C)C2=CC=C(C=C2)Cl |
Product Overview
5-25-11-00153 (Beilstein Handbook Reference) (CAS 67026-70-4), with molecular formula C16H19ClN6 and molecular weight 330.14 g/mol. IUPAC: 2-tert-butyl-1-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-cyanoguanidine.
Chemical Property Profile of 5-25-11-00153 (Beilstein Handbook Reference)
Property Insights of 5-25-11-00153 (Beilstein Handbook Reference)
The XLogP value of 3.37758 indicates that 5-25-11-00153 (Beilstein Handbook Reference) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-25-11-00153 (Beilstein Handbook Reference). Following Lipinski's Rule of Five, 5-25-11-00153 (Beilstein Handbook Reference) 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 5-25-11-00153 (Beilstein Handbook Reference)?
The CAS number of 5-25-11-00153 (Beilstein Handbook Reference) is 67026-70-4.
What is the molecular formula of 5-25-11-00153 (Beilstein Handbook Reference)?
The molecular formula of 5-25-11-00153 (Beilstein Handbook Reference) is C16H19ClN6.
What is the molecular weight of 5-25-11-00153 (Beilstein Handbook Reference)?
The molecular weight of 5-25-11-00153 (Beilstein Handbook Reference) is 330.14 g/mol.
Where can I buy 5-25-11-00153 (Beilstein Handbook Reference)?
You can request a quote for 5-25-11-00153 (Beilstein Handbook Reference) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-25-11-00153 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-25-11-00153 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.