beta-Alanine diphenylmethylamineacetoxy ester trifluoroacetate salt
TL;DR: beta-Alanine diphenylmethylamineacetoxy ester trifluoroacetate salt (CAS 204063-33-2) is a chemical compound with molecular formula C20H21F3N2O5 and molecular weight 426.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(benzhydrylamino)-2-oxoethyl] 3-aminopropanoate;2,2,2-trifluoroacetic acid
Also Known As: H-BETA-ALA-OBG TFA, 6175AH, beta-Alanine diphenylmethylamineacetoxy ester trifluoroacetate salt, trifluoroacetic acid [(diphenylmethyl)carbamoyl]methyl 3-aminopropanoate, Beta-alanine diphenylmethylamineacetoxy ester trifluoroacetate
| Molecular Formula | C20H21F3N2O5 |
|---|---|
| Molecular Weight | 426.14 g/mol |
| LogP | 2.4175 |
| Topological Polar Surface Area | 118.72 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.14026 |
| Heavy Atoms | 30 |
| Complexity | 774.6966 |
Chemical Identifiers
| CAS Number | 204063-33-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)COC(=O)CCN.C(=O)(C(F)(F)F)O |
Product Overview
beta-Alanine diphenylmethylamineacetoxy ester trifluoroacetate salt (CAS 204063-33-2), with molecular formula C20H21F3N2O5 and molecular weight 426.14 g/mol. IUPAC: [2-(benzhydrylamino)-2-oxoethyl] 3-aminopropanoate;2,2,2-trifluoroacetic acid.
Chemical Property Profile of beta-Alanine diphenylmethylamineacetoxy ester trifluoroacetate salt
Property Insights of beta-Alanine diphenylmethylamineacetoxy ester trifluoroacetate salt
The XLogP value of 2.4175 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Alanine diphenylmethylamineacetoxy ester trifluoroacetate salt. The TPSA of 118.72 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Alanine diphenylmethylamineacetoxy ester trifluoroacetate salt. Following Lipinski's Rule of Five, beta-Alanine diphenylmethylamineacetoxy ester trifluoroacetate salt has 3 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 beta-Alanine diphenylmethylamineacetoxy ester trifluoroacetate salt?
The CAS number of beta-Alanine diphenylmethylamineacetoxy ester trifluoroacetate salt is 204063-33-2.
What is the molecular formula of beta-Alanine diphenylmethylamineacetoxy ester trifluoroacetate salt?
The molecular formula of beta-Alanine diphenylmethylamineacetoxy ester trifluoroacetate salt is C20H21F3N2O5.
What is the molecular weight of beta-Alanine diphenylmethylamineacetoxy ester trifluoroacetate salt?
The molecular weight of beta-Alanine diphenylmethylamineacetoxy ester trifluoroacetate salt is 426.14 g/mol.
Where can I buy beta-Alanine diphenylmethylamineacetoxy ester trifluoroacetate salt?
You can request a quote for beta-Alanine diphenylmethylamineacetoxy ester trifluoroacetate salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Alanine diphenylmethylamineacetoxy ester trifluoroacetate salt?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine diphenylmethylamineacetoxy ester trifluoroacetate salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.