ChemDiv1_003999
TL;DR: ChemDiv1_003999 (CAS 6076-50-2) is a chemical compound with molecular formula C19H23BrF3N5O2S and molecular weight 521.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-(3-morpholin-4-ylpropyl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: ChemDiv1_003999, BAS 01841035, BIM-0014555.P001, 3-bromo-N-[3-(morpholin-4-yl)propyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide, [3-bromo-5-(2-thienyl)-7-(trifluoromethyl)(4H,5H,6H,7H-pyrazolo[1,5-a]1,3-diaz aperhydroin-2-yl)]-N-(3-morpholin-4-ylpropyl)carboxamide
| Molecular Formula | C19H23BrF3N5O2S |
|---|---|
| Molecular Weight | 521.07 g/mol |
| LogP | 3.8195 |
| Topological Polar Surface Area | 71.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 521.0708 |
| Heavy Atoms | 31 |
| Complexity | 899.23566 |
Chemical Identifiers
| CAS Number | 6076-50-2 |
|---|---|
| SMILES | C1COCCN1CCCNC(=O)C2=NN3C(CC(NC3=C2Br)C4=CC=CS4)C(F)(F)F |
Product Overview
ChemDiv1_003999 (CAS 6076-50-2), with molecular formula C19H23BrF3N5O2S and molecular weight 521.07 g/mol. IUPAC: 3-bromo-N-(3-morpholin-4-ylpropyl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of ChemDiv1_003999
Property Insights of ChemDiv1_003999
The XLogP value of 3.8195 indicates that ChemDiv1_003999 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.42 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003999. Following Lipinski's Rule of Five, ChemDiv1_003999 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_003999?
The CAS number of ChemDiv1_003999 is 6076-50-2.
What is the molecular formula of ChemDiv1_003999?
The molecular formula of ChemDiv1_003999 is C19H23BrF3N5O2S.
What is the molecular weight of ChemDiv1_003999?
The molecular weight of ChemDiv1_003999 is 521.07 g/mol.
Where can I buy ChemDiv1_003999?
You can request a quote for ChemDiv1_003999 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003999?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003999 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.