ChemDiv1_012344
TL;DR: ChemDiv1_012344 (CAS 313245-48-6) is a chemical compound with molecular formula C23H16F3N5O6 and molecular weight 515.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methoxyphenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: ChemDiv1_012344, F0452-5491, 5-(4-methoxyphenyl)-N-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, 5-(4-methoxyphenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, 5-(4-methoxyphenyl)-N-(7-nitro-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
| Molecular Formula | C23H16F3N5O6 |
|---|---|
| Molecular Weight | 515.11 g/mol |
| LogP | 4.3554 |
| Topological Polar Surface Area | 130.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 515.1053 |
| Heavy Atoms | 37 |
| Complexity | 1534.8995 |
Chemical Identifiers
| CAS Number | 313245-48-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)NC4=CC5=C(C=C4[N+](=O)[O-])OCCO5 |
Product Overview
ChemDiv1_012344 (CAS 313245-48-6), with molecular formula C23H16F3N5O6 and molecular weight 515.11 g/mol. IUPAC: 5-(4-methoxyphenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of ChemDiv1_012344
Property Insights of ChemDiv1_012344
The XLogP value of 4.3554 indicates that ChemDiv1_012344 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.12 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_012344. Following Lipinski's Rule of Five, ChemDiv1_012344 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_012344?
The CAS number of ChemDiv1_012344 is 313245-48-6.
What is the molecular formula of ChemDiv1_012344?
The molecular formula of ChemDiv1_012344 is C23H16F3N5O6.
What is the molecular weight of ChemDiv1_012344?
The molecular weight of ChemDiv1_012344 is 515.11 g/mol.
Where can I buy ChemDiv1_012344?
You can request a quote for ChemDiv1_012344 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012344?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012344 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.