3-Atmptb
TL;DR: 3-Atmptb (CAS 128574-17-4) is a chemical compound with molecular formula C25H28ClF3N2O4 and molecular weight 512.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-methoxyphenyl)-2-oxo-1-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepin-3-yl] acetate;hydrochloride
Also Known As: 3-Atmptb, 2-METHYL-D-TYROSINE, [4-(4-methoxyphenyl)-2-oxo-1-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepin-3-yl] acetate, [4-(4-methoxyphenyl)-2-oxo-1-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepin-3-yl] acetate;hydrochloride, 3-(Acetyloxy)-1,3,4,5-tetrahydro-4-(4-methoxyphenyl)-1-(2-pyrrolidinylmethyl)-6-(trifluoromethyl)-2H-benzazepin-2-one
| Molecular Formula | C25H28ClF3N2O4 |
|---|---|
| Molecular Weight | 512.17 g/mol |
| LogP | 4.4924 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 512.16895 |
| Heavy Atoms | 35 |
| Complexity | 725.0 |
Chemical Identifiers
| CAS Number | 128574-17-4 |
|---|---|
| SMILES | CC(=O)OC1C(CC2=C(C=CC=C2N(C1=O)CC3CCCN3)C(F)(F)F)C4=CC=C(C=C4)OC.Cl |
| InChIKey | BHXBSUQOVPAYIK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Atmptb (CAS 128574-17-4), with molecular formula C25H28ClF3N2O4 and molecular weight 512.17 g/mol. IUPAC: [4-(4-methoxyphenyl)-2-oxo-1-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepin-3-yl] acetate;hydrochloride.
Chemical Property Profile of 3-Atmptb
Property Insights of 3-Atmptb
The XLogP value of 4.4924 indicates that 3-Atmptb is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Atmptb. Following Lipinski's Rule of Five, 3-Atmptb has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Atmptb?
The CAS number of 3-Atmptb is 128574-17-4.
What is the molecular formula of 3-Atmptb?
The molecular formula of 3-Atmptb is C25H28ClF3N2O4.
What is the molecular weight of 3-Atmptb?
The molecular weight of 3-Atmptb is 512.17 g/mol.
Where can I buy 3-Atmptb?
You can request a quote for 3-Atmptb directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Atmptb?
Yes, KEHONG BIO provides custom synthesis services for 3-Atmptb and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.