2,4,5-Trichlorophenyl 3-phenyl-N-((phenylmethoxy)carbonyl)-L-alaninate
TL;DR: 2,4,5-Trichlorophenyl 3-phenyl-N-((phenylmethoxy)carbonyl)-L-alaninate (CAS 3065-27-8) is a chemical compound with molecular formula C23H18Cl3NO4 and molecular weight 477.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4,5-trichlorophenyl) (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
Also Known As: 2,4,5-trichlorophenyl n-[(benzyloxy)carbonyl]-l-phenylalaninate, (2,4,5-trichlorophenyl) 3-phenyl-2-(phenylmethoxycarbonylami, 2,4,5-Trichlorophenyl 3-phenyl-N-((phenylmethoxy)carbonyl)-L-alaninate, N-benzyloxycarbonyl-L-phenylalanine 2,4,5-trichlorophenyl ester, N-[(Benzyloxy)carbonyl]-L-phenylalanine 2,4,5-trichlorophenyl ester
| Molecular Formula | C23H18Cl3NO4 |
|---|---|
| Molecular Weight | 477.03 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 477.03015 |
| Heavy Atoms | 31 |
| Complexity | 581.0 |
Chemical Identifiers
| CAS Number | 3065-27-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[C@@H](C(=O)OC2=CC(=C(C=C2Cl)Cl)Cl)NC(=O)OCC3=CC=CC=C3 |
| InChIKey | DQUNNSOIEICROK-FQEVSTJZSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,5-Trichlorophenyl 3-phenyl-N-((phenylmethoxy)carbonyl)-L-alaninate (CAS 3065-27-8), with molecular formula C23H18Cl3NO4 and molecular weight 477.03 g/mol. IUPAC: (2,4,5-trichlorophenyl) (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate.
Chemical Property Profile of 2,4,5-Trichlorophenyl 3-phenyl-N-((phenylmethoxy)carbonyl)-L-alaninate
Property Insights of 2,4,5-Trichlorophenyl 3-phenyl-N-((phenylmethoxy)carbonyl)-L-alaninate
The XLogP value of 6.8 indicates that 2,4,5-Trichlorophenyl 3-phenyl-N-((phenylmethoxy)carbonyl)-L-alaninate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,5-Trichlorophenyl 3-phenyl-N-((phenylmethoxy)carbonyl)-L-alaninate. Following Lipinski's Rule of Five, 2,4,5-Trichlorophenyl 3-phenyl-N-((phenylmethoxy)carbonyl)-L-alaninate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4,5-Trichlorophenyl 3-phenyl-N-((phenylmethoxy)carbonyl)-L-alaninate?
The CAS number of 2,4,5-Trichlorophenyl 3-phenyl-N-((phenylmethoxy)carbonyl)-L-alaninate is 3065-27-8.
What is the molecular formula of 2,4,5-Trichlorophenyl 3-phenyl-N-((phenylmethoxy)carbonyl)-L-alaninate?
The molecular formula of 2,4,5-Trichlorophenyl 3-phenyl-N-((phenylmethoxy)carbonyl)-L-alaninate is C23H18Cl3NO4.
What is the molecular weight of 2,4,5-Trichlorophenyl 3-phenyl-N-((phenylmethoxy)carbonyl)-L-alaninate?
The molecular weight of 2,4,5-Trichlorophenyl 3-phenyl-N-((phenylmethoxy)carbonyl)-L-alaninate is 477.03 g/mol.
Where can I buy 2,4,5-Trichlorophenyl 3-phenyl-N-((phenylmethoxy)carbonyl)-L-alaninate?
You can request a quote for 2,4,5-Trichlorophenyl 3-phenyl-N-((phenylmethoxy)carbonyl)-L-alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,5-Trichlorophenyl 3-phenyl-N-((phenylmethoxy)carbonyl)-L-alaninate?
Yes, KEHONG BIO provides custom synthesis services for 2,4,5-Trichlorophenyl 3-phenyl-N-((phenylmethoxy)carbonyl)-L-alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.