methyl N-(1-phenylpropan-2-yl)-beta-alaninate
TL;DR: methyl N-(1-phenylpropan-2-yl)-beta-alaninate (CAS 100618-09-5) is a chemical compound with molecular formula C13H19NO2 and molecular weight 221.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(1-phenylpropan-2-ylamino)propanoate
Also Known As: Methyl 3-(1-phenylpropan-2-ylamino)propanoate, methyl N-(1-phenylpropan-2-yl)-beta-alaninate, (R)-METHYL 3-((1-METHYL-2-PHENYLETHYL)AMINO)PROPANOATE
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | 1.7703 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 310.96844 |
Chemical Identifiers
| CAS Number | 100618-09-5 |
|---|---|
| SMILES | CC(CC1=CC=CC=C1)NCCC(=O)OC |
Product Overview
methyl N-(1-phenylpropan-2-yl)-beta-alaninate (CAS 100618-09-5), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: methyl 3-(1-phenylpropan-2-ylamino)propanoate.
Chemical Property Profile of methyl N-(1-phenylpropan-2-yl)-beta-alaninate
Property Insights of methyl N-(1-phenylpropan-2-yl)-beta-alaninate
The XLogP value of 1.7703 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-(1-phenylpropan-2-yl)-beta-alaninate. With a topological polar surface area (TPSA) of 38.33 Ų, methyl N-(1-phenylpropan-2-yl)-beta-alaninate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl N-(1-phenylpropan-2-yl)-beta-alaninate has 1 hydrogen bond donor(s) and 3 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 methyl N-(1-phenylpropan-2-yl)-beta-alaninate?
The CAS number of methyl N-(1-phenylpropan-2-yl)-beta-alaninate is 100618-09-5.
What is the molecular formula of methyl N-(1-phenylpropan-2-yl)-beta-alaninate?
The molecular formula of methyl N-(1-phenylpropan-2-yl)-beta-alaninate is C13H19NO2.
What is the molecular weight of methyl N-(1-phenylpropan-2-yl)-beta-alaninate?
The molecular weight of methyl N-(1-phenylpropan-2-yl)-beta-alaninate is 221.14 g/mol.
Where can I buy methyl N-(1-phenylpropan-2-yl)-beta-alaninate?
You can request a quote for methyl N-(1-phenylpropan-2-yl)-beta-alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-(1-phenylpropan-2-yl)-beta-alaninate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-(1-phenylpropan-2-yl)-beta-alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.