BAS 00794666
TL;DR: BAS 00794666 (CAS 329737-86-2) is a chemical compound with molecular formula C24H21ClF3N3O5S2 and molecular weight 587.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-bis(benzenesulfonyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]piperazine-2-carboxamide
Also Known As: BAS 00794666, 1,4-bis(benzenesulfonyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]piperazine-2-carboxamide, N-[4-chloro-3-(trifluoromethyl)phenyl]-1,4-bis(phenylsulfonyl)piperazine-2-carboxamide
| Molecular Formula | C24H21ClF3N3O5S2 |
|---|---|
| Molecular Weight | 587.06 g/mol |
| LogP | 4.0613 |
| Topological Polar Surface Area | 103.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 587.05634 |
| Heavy Atoms | 38 |
| Complexity | 1537.4707 |
Chemical Identifiers
| CAS Number | 329737-86-2 |
|---|---|
| SMILES | C1CN(C(CN1S(=O)(=O)C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)S(=O)(=O)C4=CC=CC=C4 |
Product Overview
BAS 00794666 (CAS 329737-86-2), with molecular formula C24H21ClF3N3O5S2 and molecular weight 587.06 g/mol. IUPAC: 1,4-bis(benzenesulfonyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]piperazine-2-carboxamide.
Chemical Property Profile of BAS 00794666
Property Insights of BAS 00794666
The XLogP value of 4.0613 indicates that BAS 00794666 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.86 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00794666. Following Lipinski's Rule of Five, BAS 00794666 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00794666?
The CAS number of BAS 00794666 is 329737-86-2.
What is the molecular formula of BAS 00794666?
The molecular formula of BAS 00794666 is C24H21ClF3N3O5S2.
What is the molecular weight of BAS 00794666?
The molecular weight of BAS 00794666 is 587.06 g/mol.
Where can I buy BAS 00794666?
You can request a quote for BAS 00794666 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00794666?
Yes, KEHONG BIO provides custom synthesis services for BAS 00794666 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.