![2,4,5-Trichlorophenyl n-[(benzyloxy)carbonyl]alaninate structure](/static/products/7628/7628-14-0.webp)
2,4,5-Trichlorophenyl n-[(benzyloxy)carbonyl]alaninate
TL;DR: 2,4,5-Trichlorophenyl n-[(benzyloxy)carbonyl]alaninate (CAS 7628-14-0) is a chemical compound with molecular formula C17H14Cl3NO4 and molecular weight 401.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4,5-trichlorophenyl) 2-(phenylmethoxycarbonylamino)propanoate
Also Known As: 2,4,5-trichlorophenyl n-[(benzyloxy)carbonyl]alaninate, (2,4,5-trichlorophenyl) 2-(phenylmethoxycarbonylamino)propanoate, (2,4,5-Trichlorophenyl) 2-phenylmethoxycarbonylaminopropanoate
| Molecular Formula | C17H14Cl3NO4 |
|---|---|
| Molecular Weight | 401.00 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.99884 |
| Heavy Atoms | 25 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 7628-14-0 |
|---|---|
| SMILES | CC(C(=O)OC1=CC(=C(C=C1Cl)Cl)Cl)NC(=O)OCC2=CC=CC=C2 |
| InChIKey | ZNVWBEIILSUHOR-UHFFFAOYSA-N |
Product Overview
2,4,5-Trichlorophenyl n-[(benzyloxy)carbonyl]alaninate (CAS 7628-14-0), with molecular formula C17H14Cl3NO4 and molecular weight 401.00 g/mol. IUPAC: (2,4,5-trichlorophenyl) 2-(phenylmethoxycarbonylamino)propanoate.
Chemical Property Profile of 2,4,5-Trichlorophenyl n-[(benzyloxy)carbonyl]alaninate
Property Insights of 2,4,5-Trichlorophenyl n-[(benzyloxy)carbonyl]alaninate
The XLogP value of 5.2 indicates that 2,4,5-Trichlorophenyl n-[(benzyloxy)carbonyl]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 n-[(benzyloxy)carbonyl]alaninate. Following Lipinski's Rule of Five, 2,4,5-Trichlorophenyl n-[(benzyloxy)carbonyl]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 n-[(benzyloxy)carbonyl]alaninate?
The CAS number of 2,4,5-Trichlorophenyl n-[(benzyloxy)carbonyl]alaninate is 7628-14-0.
What is the molecular formula of 2,4,5-Trichlorophenyl n-[(benzyloxy)carbonyl]alaninate?
The molecular formula of 2,4,5-Trichlorophenyl n-[(benzyloxy)carbonyl]alaninate is C17H14Cl3NO4.
What is the molecular weight of 2,4,5-Trichlorophenyl n-[(benzyloxy)carbonyl]alaninate?
The molecular weight of 2,4,5-Trichlorophenyl n-[(benzyloxy)carbonyl]alaninate is 401.00 g/mol.
Where can I buy 2,4,5-Trichlorophenyl n-[(benzyloxy)carbonyl]alaninate?
You can request a quote for 2,4,5-Trichlorophenyl n-[(benzyloxy)carbonyl]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 n-[(benzyloxy)carbonyl]alaninate?
Yes, KEHONG BIO provides custom synthesis services for 2,4,5-Trichlorophenyl n-[(benzyloxy)carbonyl]alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.