Boc-3,4-difluoro-D-phenylalanine
TL;DR: Boc-3,4-difluoro-D-phenylalanine (CAS 198474-90-7) is a chemical compound with molecular formula C14H17F2NO4 and molecular weight 301.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-3-(3,4-difluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Also Known As: boc-d-phe(3,4-dif)-oh, Boc-3,4-difluoro-D-phenylalanine, BOC-d-3,4-Difluorophenylalanine, boc-d-3,4-difluorophe, Boc-D-Phe(3,4-F2)-OH
| Molecular Formula | C14H17F2NO4 |
|---|---|
| Molecular Weight | 301.11 g/mol |
| LogP | 2.4852 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.11258 |
| Heavy Atoms | 21 |
| Complexity | 540.2658 |
Chemical Identifiers
| CAS Number | 198474-90-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@H](CC1=CC(=C(C=C1)F)F)C(=O)O |
Product Overview
Boc-3,4-difluoro-D-phenylalanine (CAS 198474-90-7), with molecular formula C14H17F2NO4 and molecular weight 301.11 g/mol. IUPAC: (2R)-3-(3,4-difluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
Chemical Property Profile of Boc-3,4-difluoro-D-phenylalanine
Property Insights of Boc-3,4-difluoro-D-phenylalanine
The XLogP value of 2.4852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Boc-3,4-difluoro-D-phenylalanine. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Boc-3,4-difluoro-D-phenylalanine. Following Lipinski's Rule of Five, Boc-3,4-difluoro-D-phenylalanine has 2 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 Boc-3,4-difluoro-D-phenylalanine?
The CAS number of Boc-3,4-difluoro-D-phenylalanine is 198474-90-7.
What is the molecular formula of Boc-3,4-difluoro-D-phenylalanine?
The molecular formula of Boc-3,4-difluoro-D-phenylalanine is C14H17F2NO4.
What is the molecular weight of Boc-3,4-difluoro-D-phenylalanine?
The molecular weight of Boc-3,4-difluoro-D-phenylalanine is 301.11 g/mol.
Where can I buy Boc-3,4-difluoro-D-phenylalanine?
You can request a quote for Boc-3,4-difluoro-D-phenylalanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Boc-3,4-difluoro-D-phenylalanine?
Yes, KEHONG BIO provides custom synthesis services for Boc-3,4-difluoro-D-phenylalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.