![(2s)-2-{[(Benzyloxy)carbonyl]amino}-3-[4-(difluoromethoxy)phenyl]propanoic acid structure](/static/products/1365/136581-58-3.webp)
(2s)-2-{[(Benzyloxy)carbonyl]amino}-3-[4-(difluoromethoxy)phenyl]propanoic acid
TL;DR: (2s)-2-{[(Benzyloxy)carbonyl]amino}-3-[4-(difluoromethoxy)phenyl]propanoic acid (CAS 136581-58-3) is a chemical compound with molecular formula C18H17F2NO5 and molecular weight 365.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-[4-(difluoromethoxy)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid
Also Known As: (2s)-2-{[(benzyloxy)carbonyl]amino}-3-[4-(difluoromethoxy)phenyl]propanoic acid, N-(Benzyloxycarbonyl)-4-(difluoromethoxy)-L-phenylalanine, 3-[4-(difluoromethoxy)phenyl]-2-phenylmethoxycarbonylamino-propanoic Acid, (2S)-3-[4-(difluoromethoxy)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid
| Molecular Formula | C18H17F2NO5 |
|---|---|
| Molecular Weight | 365.11 g/mol |
| LogP | 3.2101 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 365.10748 |
| Heavy Atoms | 26 |
| Complexity | 722.12115 |
Chemical Identifiers
| CAS Number | 136581-58-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CC=C(C=C2)OC(F)F)C(=O)O |
Product Overview
(2s)-2-{[(Benzyloxy)carbonyl]amino}-3-[4-(difluoromethoxy)phenyl]propanoic acid (CAS 136581-58-3), with molecular formula C18H17F2NO5 and molecular weight 365.11 g/mol. IUPAC: (2S)-3-[4-(difluoromethoxy)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid.
Chemical Property Profile of (2s)-2-{[(Benzyloxy)carbonyl]amino}-3-[4-(difluoromethoxy)phenyl]propanoic acid
Property Insights of (2s)-2-{[(Benzyloxy)carbonyl]amino}-3-[4-(difluoromethoxy)phenyl]propanoic acid
The XLogP value of 3.2101 indicates that (2s)-2-{[(Benzyloxy)carbonyl]amino}-3-[4-(difluoromethoxy)phenyl]propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for (2s)-2-{[(Benzyloxy)carbonyl]amino}-3-[4-(difluoromethoxy)phenyl]propanoic acid. Following Lipinski's Rule of Five, (2s)-2-{[(Benzyloxy)carbonyl]amino}-3-[4-(difluoromethoxy)phenyl]propanoic acid has 2 hydrogen bond donor(s) and 4 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 (2s)-2-{[(Benzyloxy)carbonyl]amino}-3-[4-(difluoromethoxy)phenyl]propanoic acid?
The CAS number of (2s)-2-{[(Benzyloxy)carbonyl]amino}-3-[4-(difluoromethoxy)phenyl]propanoic acid is 136581-58-3.
What is the molecular formula of (2s)-2-{[(Benzyloxy)carbonyl]amino}-3-[4-(difluoromethoxy)phenyl]propanoic acid?
The molecular formula of (2s)-2-{[(Benzyloxy)carbonyl]amino}-3-[4-(difluoromethoxy)phenyl]propanoic acid is C18H17F2NO5.
What is the molecular weight of (2s)-2-{[(Benzyloxy)carbonyl]amino}-3-[4-(difluoromethoxy)phenyl]propanoic acid?
The molecular weight of (2s)-2-{[(Benzyloxy)carbonyl]amino}-3-[4-(difluoromethoxy)phenyl]propanoic acid is 365.11 g/mol.
Where can I buy (2s)-2-{[(Benzyloxy)carbonyl]amino}-3-[4-(difluoromethoxy)phenyl]propanoic acid?
You can request a quote for (2s)-2-{[(Benzyloxy)carbonyl]amino}-3-[4-(difluoromethoxy)phenyl]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2s)-2-{[(Benzyloxy)carbonyl]amino}-3-[4-(difluoromethoxy)phenyl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2s)-2-{[(Benzyloxy)carbonyl]amino}-3-[4-(difluoromethoxy)phenyl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.