T0514-4587
TL;DR: T0514-4587 (CAS 5367-44-2) is a chemical compound with molecular formula C19H13F6NO5 and molecular weight 449.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 3,5-bis(trifluoromethyl)benzoate
Also Known As: T0514-4587, [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 3,5-bis(trifluoromethyl)benzoate, 2-[(2,3-Dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl 3,5-bis(trifluoromethyl)benzoate, 7,10-dioxabicyclo[4.4.0]deca-2,4,11-trien-3-ylcarbamoylmethyl 3,5-bis(trifluoromethyl)benzoate
| Molecular Formula | C19H13F6NO5 |
|---|---|
| Molecular Weight | 449.07 g/mol |
| LogP | 4.2909 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.0698 |
| Heavy Atoms | 31 |
| Complexity | 970.0085 |
Chemical Identifiers
| CAS Number | 5367-44-2 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)NC(=O)COC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F |
Product Overview
T0514-4587 (CAS 5367-44-2), with molecular formula C19H13F6NO5 and molecular weight 449.07 g/mol. IUPAC: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 3,5-bis(trifluoromethyl)benzoate.
Chemical Property Profile of T0514-4587
Property Insights of T0514-4587
The XLogP value of 4.2909 indicates that T0514-4587 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for T0514-4587. Following Lipinski's Rule of Five, T0514-4587 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 T0514-4587?
The CAS number of T0514-4587 is 5367-44-2.
What is the molecular formula of T0514-4587?
The molecular formula of T0514-4587 is C19H13F6NO5.
What is the molecular weight of T0514-4587?
The molecular weight of T0514-4587 is 449.07 g/mol.
Where can I buy T0514-4587?
You can request a quote for T0514-4587 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for T0514-4587?
Yes, KEHONG BIO provides custom synthesis services for T0514-4587 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.