(S)-Methyl N-(butoxycarbonyl)-4-aminophenylalaninate
TL;DR: (S)-Methyl N-(butoxycarbonyl)-4-aminophenylalaninate (CAS 188404-33-3) is a chemical compound with molecular formula C15H22N2O4 and molecular weight 294.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-3-(4-aminophenyl)-2-(butoxycarbonylamino)propanoate
Also Known As: (S)-Methyl N-(butoxycarbonyl)-4-aminophenylalaninate, Methyl 4-amino-N-(butoxycarbonyl)phenylalaninate, methyl (2S)-3-(4-aminophenyl)-2-(butoxycarbonylamino)propanoate, methyl (S)-6,6-dimethoxy-4-isopropenylhexanoate, 404M333
| Molecular Formula | C15H22N2O4 |
|---|---|
| Molecular Weight | 294.16 g/mol |
| LogP | 1.8792 |
| Topological Polar Surface Area | 90.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 294.15796 |
| Heavy Atoms | 21 |
| Complexity | 459.24634 |
Chemical Identifiers
| CAS Number | 188404-33-3 |
|---|---|
| SMILES | CCCCOC(=O)N[C@@H](CC1=CC=C(C=C1)N)C(=O)OC |
Product Overview
(S)-Methyl N-(butoxycarbonyl)-4-aminophenylalaninate (CAS 188404-33-3), with molecular formula C15H22N2O4 and molecular weight 294.16 g/mol. IUPAC: methyl (2S)-3-(4-aminophenyl)-2-(butoxycarbonylamino)propanoate.
Chemical Property Profile of (S)-Methyl N-(butoxycarbonyl)-4-aminophenylalaninate
Property Insights of (S)-Methyl N-(butoxycarbonyl)-4-aminophenylalaninate
The XLogP value of 1.8792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-Methyl N-(butoxycarbonyl)-4-aminophenylalaninate. The TPSA of 90.65 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-Methyl N-(butoxycarbonyl)-4-aminophenylalaninate. Following Lipinski's Rule of Five, (S)-Methyl N-(butoxycarbonyl)-4-aminophenylalaninate has 2 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 (S)-Methyl N-(butoxycarbonyl)-4-aminophenylalaninate?
The CAS number of (S)-Methyl N-(butoxycarbonyl)-4-aminophenylalaninate is 188404-33-3.
What is the molecular formula of (S)-Methyl N-(butoxycarbonyl)-4-aminophenylalaninate?
The molecular formula of (S)-Methyl N-(butoxycarbonyl)-4-aminophenylalaninate is C15H22N2O4.
What is the molecular weight of (S)-Methyl N-(butoxycarbonyl)-4-aminophenylalaninate?
The molecular weight of (S)-Methyl N-(butoxycarbonyl)-4-aminophenylalaninate is 294.16 g/mol.
Where can I buy (S)-Methyl N-(butoxycarbonyl)-4-aminophenylalaninate?
You can request a quote for (S)-Methyl N-(butoxycarbonyl)-4-aminophenylalaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-Methyl N-(butoxycarbonyl)-4-aminophenylalaninate?
Yes, KEHONG BIO provides custom synthesis services for (S)-Methyl N-(butoxycarbonyl)-4-aminophenylalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.