beta-Alanine, N-(trifluoroacetyl)-, 1-methylpentyl ester
TL;DR: beta-Alanine, N-(trifluoroacetyl)-, 1-methylpentyl ester (CAS 57983-13-8) is a chemical compound with molecular formula C11H18F3NO3 and molecular weight 269.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexan-2-yl 3-[(2,2,2-trifluoroacetyl)amino]propanoate
Also Known As: N-(Trifluoroacetyl)-beta-alanine 1-methylpentyl ester, 1-Methylpentyl 3-[(trifluoroacetyl)amino]propanoate, hexan-2-yl 3-(2,2,2-trifluoroacetamido)propanoate, .beta.-Alanine, N-(trifluoroacetyl)-, 1-methylpentyl ester, 1-Methylpentyl 3-[(trifluoroacetyl)amino]propanoate #
| Molecular Formula | C11H18F3NO3 |
|---|---|
| Molecular Weight | 269.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 269.12387 |
| Heavy Atoms | 18 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 57983-13-8 |
|---|---|
| SMILES | CCCCC(C)OC(=O)CCNC(=O)C(F)(F)F |
| InChIKey | JUVLONJDKGAVGD-UHFFFAOYSA-N |
Product Overview
beta-Alanine, N-(trifluoroacetyl)-, 1-methylpentyl ester (CAS 57983-13-8), with molecular formula C11H18F3NO3 and molecular weight 269.12 g/mol. IUPAC: hexan-2-yl 3-[(2,2,2-trifluoroacetyl)amino]propanoate.
Chemical Property Profile of beta-Alanine, N-(trifluoroacetyl)-, 1-methylpentyl ester
Property Insights of beta-Alanine, N-(trifluoroacetyl)-, 1-methylpentyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Alanine, N-(trifluoroacetyl)-, 1-methylpentyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, beta-Alanine, N-(trifluoroacetyl)-, 1-methylpentyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Alanine, N-(trifluoroacetyl)-, 1-methylpentyl ester has 1 hydrogen bond donor(s) and 6 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, N-(trifluoroacetyl)-, 1-methylpentyl ester?
The CAS number of beta-Alanine, N-(trifluoroacetyl)-, 1-methylpentyl ester is 57983-13-8.
What is the molecular formula of beta-Alanine, N-(trifluoroacetyl)-, 1-methylpentyl ester?
The molecular formula of beta-Alanine, N-(trifluoroacetyl)-, 1-methylpentyl ester is C11H18F3NO3.
What is the molecular weight of beta-Alanine, N-(trifluoroacetyl)-, 1-methylpentyl ester?
The molecular weight of beta-Alanine, N-(trifluoroacetyl)-, 1-methylpentyl ester is 269.12 g/mol.
Where can I buy beta-Alanine, N-(trifluoroacetyl)-, 1-methylpentyl ester?
You can request a quote for beta-Alanine, N-(trifluoroacetyl)-, 1-methylpentyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Alanine, N-(trifluoroacetyl)-, 1-methylpentyl ester?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine, N-(trifluoroacetyl)-, 1-methylpentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.