C28H26ClN3S
TL;DR: C28H26ClN3S (CAS 862210-35-3) is a chemical compound with molecular formula C28H26ClN3S and molecular weight 471.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-3-(4-chlorophenyl)-2-methyl-7-(naphthalen-1-ylmethylsulfanyl)pyrazolo[1,5-a]pyrimidine
Also Known As: 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-7-[(naphthalen-1-ylmethyl)sulfanyl]pyrazolo[1,5-a]pyrimidine, 5-(tert-butyl)-3-(4-chlorophenyl)-2-methyl-7-((naphthalen-1-ylmethyl)thio)pyrazolo[1,5-a]pyrimidine, 5-(tert-butyl)-3-(4-chlorophenyl)-2-methyl-7-(naphthylmethylthio)-8-hydropyraz olo[1,5-a]pyrimidine, 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-7-(naphthalen-1-ylmethylsulfanyl)pyrazolo[1,5-a]pyrimidine
| Molecular Formula | C28H26ClN3S |
|---|---|
| Molecular Weight | 471.15 g/mol |
| LogP | 8.10112 |
| Topological Polar Surface Area | 30.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 471.1536 |
| Heavy Atoms | 33 |
| Complexity | 1457.83 |
Chemical Identifiers
| CAS Number | 862210-35-3 |
|---|---|
| SMILES | CC1=NN2C(=CC(=NC2=C1C3=CC=C(C=C3)Cl)C(C)(C)C)SCC4=CC=CC5=CC=CC=C54 |
Product Overview
C28H26ClN3S (CAS 862210-35-3), with molecular formula C28H26ClN3S and molecular weight 471.15 g/mol. IUPAC: 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-7-(naphthalen-1-ylmethylsulfanyl)pyrazolo[1,5-a]pyrimidine.
Chemical Property Profile of C28H26ClN3S
Property Insights of C28H26ClN3S
The XLogP value of 8.10112 indicates that C28H26ClN3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.19 Ų, C28H26ClN3S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C28H26ClN3S has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C28H26ClN3S?
The CAS number of C28H26ClN3S is 862210-35-3.
What is the molecular formula of C28H26ClN3S?
The molecular formula of C28H26ClN3S is C28H26ClN3S.
What is the molecular weight of C28H26ClN3S?
The molecular weight of C28H26ClN3S is 471.15 g/mol.
Where can I buy C28H26ClN3S?
You can request a quote for C28H26ClN3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C28H26ClN3S?
Yes, KEHONG BIO provides custom synthesis services for C28H26ClN3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.