erythro-beta-(3-Bromo-1-oxopropoxy)-N-(3-bromo-1-oxopropyl)-DL-phenylalanine ethyl ester
TL;DR: erythro-beta-(3-Bromo-1-oxopropoxy)-N-(3-bromo-1-oxopropyl)-DL-phenylalanine ethyl ester (CAS 61462-94-0) is a chemical compound with molecular formula C17H21Br2NO5 and molecular weight 476.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2R,3R)-2-(3-bromopropanoylamino)-3-(3-bromopropanoyloxy)-3-phenylpropanoate
Also Known As: erythro-beta-(3-Bromo-1-oxopropoxy)-N-(3-bromo-1-oxopropyl)-DL-phenylalanine ethyl ester, DL-Phenylalanine, beta-(3-bromo-1-oxopropoxy)-N-(3-bromo-1-oxopropyl)-, ethyl ester, erythro-, ethyl (2R,3R)-2-(3-bromopropanoylamino)-3-(3-bromopropanoyloxy)-3-phenylpropanoate, DL-Phenylalanine, beta-(3-bromo-1-oxopropoxy)-N-(3-bromo-1-oxopropyl)-, ethyl ester, threo-
| Molecular Formula | C17H21Br2NO5 |
|---|---|
| Molecular Weight | 476.98 g/mol |
| LogP | 2.8888 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 476.97864 |
| Heavy Atoms | 25 |
| Complexity | 567.41644 |
Chemical Identifiers
| CAS Number | 61462-94-0 |
|---|---|
| SMILES | CCOC(=O)[C@@H]([C@@H](C1=CC=CC=C1)OC(=O)CCBr)NC(=O)CCBr |
Product Overview
erythro-beta-(3-Bromo-1-oxopropoxy)-N-(3-bromo-1-oxopropyl)-DL-phenylalanine ethyl ester (CAS 61462-94-0), with molecular formula C17H21Br2NO5 and molecular weight 476.98 g/mol. IUPAC: ethyl (2R,3R)-2-(3-bromopropanoylamino)-3-(3-bromopropanoyloxy)-3-phenylpropanoate.
Chemical Property Profile of erythro-beta-(3-Bromo-1-oxopropoxy)-N-(3-bromo-1-oxopropyl)-DL-phenylalanine ethyl ester
Property Insights of erythro-beta-(3-Bromo-1-oxopropoxy)-N-(3-bromo-1-oxopropyl)-DL-phenylalanine ethyl ester
The XLogP value of 2.8888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for erythro-beta-(3-Bromo-1-oxopropoxy)-N-(3-bromo-1-oxopropyl)-DL-phenylalanine ethyl ester. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for erythro-beta-(3-Bromo-1-oxopropoxy)-N-(3-bromo-1-oxopropyl)-DL-phenylalanine ethyl ester. Following Lipinski's Rule of Five, erythro-beta-(3-Bromo-1-oxopropoxy)-N-(3-bromo-1-oxopropyl)-DL-phenylalanine ethyl ester has 1 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 erythro-beta-(3-Bromo-1-oxopropoxy)-N-(3-bromo-1-oxopropyl)-DL-phenylalanine ethyl ester?
The CAS number of erythro-beta-(3-Bromo-1-oxopropoxy)-N-(3-bromo-1-oxopropyl)-DL-phenylalanine ethyl ester is 61462-94-0.
What is the molecular formula of erythro-beta-(3-Bromo-1-oxopropoxy)-N-(3-bromo-1-oxopropyl)-DL-phenylalanine ethyl ester?
The molecular formula of erythro-beta-(3-Bromo-1-oxopropoxy)-N-(3-bromo-1-oxopropyl)-DL-phenylalanine ethyl ester is C17H21Br2NO5.
What is the molecular weight of erythro-beta-(3-Bromo-1-oxopropoxy)-N-(3-bromo-1-oxopropyl)-DL-phenylalanine ethyl ester?
The molecular weight of erythro-beta-(3-Bromo-1-oxopropoxy)-N-(3-bromo-1-oxopropyl)-DL-phenylalanine ethyl ester is 476.98 g/mol.
Where can I buy erythro-beta-(3-Bromo-1-oxopropoxy)-N-(3-bromo-1-oxopropyl)-DL-phenylalanine ethyl ester?
You can request a quote for erythro-beta-(3-Bromo-1-oxopropoxy)-N-(3-bromo-1-oxopropyl)-DL-phenylalanine ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for erythro-beta-(3-Bromo-1-oxopropoxy)-N-(3-bromo-1-oxopropyl)-DL-phenylalanine ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for erythro-beta-(3-Bromo-1-oxopropoxy)-N-(3-bromo-1-oxopropyl)-DL-phenylalanine ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.