ChemDiv3_002557
TL;DR: ChemDiv3_002557 (CAS 252326-58-2) is a chemical compound with molecular formula C18H18F6N2O3 and molecular weight 424.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4S)-8,10-bis(dimethylamino)-2,4-bis(trifluoromethyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-diol
Also Known As: ChemDiv3_002557, BRD-K16513978-001-01-5, (1R,3S)-6,7-bis(dimethylamino)-1,3-bis(trifluoromethyl)-1,3-dihydrobenzo[de]isochromene-1,3-diol, (1R,3S)-6,7-BIS(DIMETHYLAMINO)-1,3-BIS(TRIFLUOROMETHYL)-1H,3H-BENZO[DE]ISOCHROMENE-1,3-DIOL
| Molecular Formula | C18H18F6N2O3 |
|---|---|
| Molecular Weight | 424.12 g/mol |
| LogP | 3.4168 |
| Topological Polar Surface Area | 56.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 424.12216 |
| Heavy Atoms | 29 |
| Complexity | 899.9435 |
Chemical Identifiers
| CAS Number | 252326-58-2 |
|---|---|
| SMILES | CN(C)C1=C2C(=CC=C3C2=C(C=C1)[C@@](O[C@@]3(C(F)(F)F)O)(C(F)(F)F)O)N(C)C |
Product Overview
ChemDiv3_002557 (CAS 252326-58-2), with molecular formula C18H18F6N2O3 and molecular weight 424.12 g/mol. IUPAC: (2R,4S)-8,10-bis(dimethylamino)-2,4-bis(trifluoromethyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-diol.
Chemical Property Profile of ChemDiv3_002557
Property Insights of ChemDiv3_002557
The XLogP value of 3.4168 indicates that ChemDiv3_002557 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.17 Ų, ChemDiv3_002557 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_002557 has 2 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 ChemDiv3_002557?
The CAS number of ChemDiv3_002557 is 252326-58-2.
What is the molecular formula of ChemDiv3_002557?
The molecular formula of ChemDiv3_002557 is C18H18F6N2O3.
What is the molecular weight of ChemDiv3_002557?
The molecular weight of ChemDiv3_002557 is 424.12 g/mol.
Where can I buy ChemDiv3_002557?
You can request a quote for ChemDiv3_002557 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_002557?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_002557 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.