BRD-K89708726-001-01-8
TL;DR: BRD-K89708726-001-01-8 (CAS 534565-10-1) is a chemical compound with molecular formula C20H18Cl2F3N3O4 and molecular weight 491.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5,6-dichloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
Also Known As: BRD-K89708726-001-01-8, F0564-0547, N-(5,6-dichloro-2-(trifluoromethyl)benzo[d][1,3]dioxol-2-yl)-4-(4-methoxyphenyl)piperazine-1-carboxamide, N-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-4-(4-methoxyphenyl)piperazine-1-carboxamide, N-[5,6-dichloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
| Molecular Formula | C20H18Cl2F3N3O4 |
|---|---|
| Molecular Weight | 491.06 g/mol |
| LogP | 4.5211 |
| Topological Polar Surface Area | 63.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 491.06265 |
| Heavy Atoms | 32 |
| Complexity | 981.38495 |
Chemical Identifiers
| CAS Number | 534565-10-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2CCN(CC2)C(=O)NC3(OC4=CC(=C(C=C4O3)Cl)Cl)C(F)(F)F |
Product Overview
BRD-K89708726-001-01-8 (CAS 534565-10-1), with molecular formula C20H18Cl2F3N3O4 and molecular weight 491.06 g/mol. IUPAC: N-[5,6-dichloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-4-(4-methoxyphenyl)piperazine-1-carboxamide.
Chemical Property Profile of BRD-K89708726-001-01-8
Property Insights of BRD-K89708726-001-01-8
The XLogP value of 4.5211 indicates that BRD-K89708726-001-01-8 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.27 Ų falls within the moderate polarity range, balancing permeability and solubility for BRD-K89708726-001-01-8. Following Lipinski's Rule of Five, BRD-K89708726-001-01-8 has 1 hydrogen bond donor(s) and 5 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 BRD-K89708726-001-01-8?
The CAS number of BRD-K89708726-001-01-8 is 534565-10-1.
What is the molecular formula of BRD-K89708726-001-01-8?
The molecular formula of BRD-K89708726-001-01-8 is C20H18Cl2F3N3O4.
What is the molecular weight of BRD-K89708726-001-01-8?
The molecular weight of BRD-K89708726-001-01-8 is 491.06 g/mol.
Where can I buy BRD-K89708726-001-01-8?
You can request a quote for BRD-K89708726-001-01-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-K89708726-001-01-8?
Yes, KEHONG BIO provides custom synthesis services for BRD-K89708726-001-01-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.