ChemDiv1_003912
TL;DR: ChemDiv1_003912 (CAS 361476-20-2) is a chemical compound with molecular formula C27H21BrF3N5O3S and molecular weight 631.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(4-bromophenyl)sulfanyl-5-nitrophenyl]-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Also Known As: ChemDiv1_003912, F0910-2072, N-{3-[(4-bromophenyl)sulfanyl]-5-nitrophenyl}-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, N-{3-[(4-BROMOPHENYL)SULFANYL]-5-NITROPHENYL}-5-(4-METHYLPHENYL)-7-(TRIFLUOROMETHYL)-4H,5H,6H,7H-PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE, N-(3-((4-bromophenyl)thio)-5-nitrophenyl)-5-(p-tolyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
| Molecular Formula | C27H21BrF3N5O3S |
|---|---|
| Molecular Weight | 631.05 g/mol |
| LogP | 7.92602 |
| Topological Polar Surface Area | 102.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 631.05005 |
| Heavy Atoms | 40 |
| Complexity | 1576.0277 |
Chemical Identifiers
| CAS Number | 361476-20-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2CC(N3C(=C(C=N3)C(=O)NC4=CC(=CC(=C4)SC5=CC=C(C=C5)Br)[N+](=O)[O-])N2)C(F)(F)F |
Product Overview
ChemDiv1_003912 (CAS 361476-20-2), with molecular formula C27H21BrF3N5O3S and molecular weight 631.05 g/mol. IUPAC: N-[3-(4-bromophenyl)sulfanyl-5-nitrophenyl]-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
Chemical Property Profile of ChemDiv1_003912
Property Insights of ChemDiv1_003912
The XLogP value of 7.92602 indicates that ChemDiv1_003912 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.09 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003912. Following Lipinski's Rule of Five, ChemDiv1_003912 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_003912?
The CAS number of ChemDiv1_003912 is 361476-20-2.
What is the molecular formula of ChemDiv1_003912?
The molecular formula of ChemDiv1_003912 is C27H21BrF3N5O3S.
What is the molecular weight of ChemDiv1_003912?
The molecular weight of ChemDiv1_003912 is 631.05 g/mol.
Where can I buy ChemDiv1_003912?
You can request a quote for ChemDiv1_003912 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003912?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003912 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.