Boc-(S)-3-Amino-3-(2,3-dimethoxy-phenyl)-propionic acid
TL;DR: Boc-(S)-3-Amino-3-(2,3-dimethoxy-phenyl)-propionic acid (CAS 499995-83-4) is a chemical compound with molecular formula C16H23NO6 and molecular weight 325.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-(2,3-dimethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Also Known As: Boc-(S)-3-Amino-3-(2,3-dimethoxy-phenyl)-propionic acid, BOC- -3-AMINO-3- -PROPIONICACID, Boc-D-Phg{2,3-(OMe)2}-(C#CH2)OH, Boc-(S)-3-amino-3-(2,3-dimethoxyphenyl)propionic acid, (3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(2,3-dimethoxyphenyl)propanoic acid
| Molecular Formula | C16H23NO6 |
|---|---|
| Molecular Weight | 325.15 g/mol |
| LogP | 2.7443 |
| Topological Polar Surface Area | 94.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 325.15253 |
| Heavy Atoms | 23 |
| Complexity | 564.17914 |
Chemical Identifiers
| CAS Number | 499995-83-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C1=C(C(=CC=C1)OC)OC |
Product Overview
Boc-(S)-3-Amino-3-(2,3-dimethoxy-phenyl)-propionic acid (CAS 499995-83-4), with molecular formula C16H23NO6 and molecular weight 325.15 g/mol. IUPAC: (3S)-3-(2,3-dimethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
Chemical Property Profile of Boc-(S)-3-Amino-3-(2,3-dimethoxy-phenyl)-propionic acid
Property Insights of Boc-(S)-3-Amino-3-(2,3-dimethoxy-phenyl)-propionic acid
The XLogP value of 2.7443 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Boc-(S)-3-Amino-3-(2,3-dimethoxy-phenyl)-propionic acid. The TPSA of 94.09 Ų falls within the moderate polarity range, balancing permeability and solubility for Boc-(S)-3-Amino-3-(2,3-dimethoxy-phenyl)-propionic acid. Following Lipinski's Rule of Five, Boc-(S)-3-Amino-3-(2,3-dimethoxy-phenyl)-propionic acid 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 Boc-(S)-3-Amino-3-(2,3-dimethoxy-phenyl)-propionic acid?
The CAS number of Boc-(S)-3-Amino-3-(2,3-dimethoxy-phenyl)-propionic acid is 499995-83-4.
What is the molecular formula of Boc-(S)-3-Amino-3-(2,3-dimethoxy-phenyl)-propionic acid?
The molecular formula of Boc-(S)-3-Amino-3-(2,3-dimethoxy-phenyl)-propionic acid is C16H23NO6.
What is the molecular weight of Boc-(S)-3-Amino-3-(2,3-dimethoxy-phenyl)-propionic acid?
The molecular weight of Boc-(S)-3-Amino-3-(2,3-dimethoxy-phenyl)-propionic acid is 325.15 g/mol.
Where can I buy Boc-(S)-3-Amino-3-(2,3-dimethoxy-phenyl)-propionic acid?
You can request a quote for Boc-(S)-3-Amino-3-(2,3-dimethoxy-phenyl)-propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Boc-(S)-3-Amino-3-(2,3-dimethoxy-phenyl)-propionic acid?
Yes, KEHONG BIO provides custom synthesis services for Boc-(S)-3-Amino-3-(2,3-dimethoxy-phenyl)-propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.