Alanine, N-benzyloxycarbonyl-3,3-dimethyl-, 1,2-dibromoethyl ester, L-
TL;DR: Alanine, N-benzyloxycarbonyl-3,3-dimethyl-, 1,2-dibromoethyl ester, L- (CAS 73680-51-0) is a chemical compound with molecular formula C15H19Br2NO4 and molecular weight 434.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dibromoethyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
Also Known As: L-N-Benzyloxycarbonyl-3,3-dimethylalanine 1,2-dibromoethyl ester, N-(Benzyloxycarbonyl)-L-valine 1,2-dibromoethyl ester, ALANINE, N-BENZYLOXYCARBONYL-3,3-DIMETHYL-, 1,2-DIBROMOETHYL ESTER, L-, 1,2-Dibromoethyl N-[(benzyloxy)(hydroxy)methylidene]valinate, 1,2-Dibromoethyl N-[(benzyloxy)(hydroxy)methylidene]-L-valinate
| Molecular Formula | C15H19Br2NO4 |
|---|---|
| Molecular Weight | 434.97 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 436.96603 |
| Heavy Atoms | 22 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 73680-51-0 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)OC(CBr)Br)NC(=O)OCC1=CC=CC=C1 |
| InChIKey | JGURDZWILNYABV-ABLWVSNPSA-N |
Product Overview
Alanine, N-benzyloxycarbonyl-3,3-dimethyl-, 1,2-dibromoethyl ester, L- (CAS 73680-51-0), with molecular formula C15H19Br2NO4 and molecular weight 434.97 g/mol. IUPAC: 1,2-dibromoethyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate.
Chemical Property Profile of Alanine, N-benzyloxycarbonyl-3,3-dimethyl-, 1,2-dibromoethyl ester, L-
Property Insights of Alanine, N-benzyloxycarbonyl-3,3-dimethyl-, 1,2-dibromoethyl ester, L-
The XLogP value of 4.4 indicates that Alanine, N-benzyloxycarbonyl-3,3-dimethyl-, 1,2-dibromoethyl ester, L- 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 Alanine, N-benzyloxycarbonyl-3,3-dimethyl-, 1,2-dibromoethyl ester, L-. Following Lipinski's Rule of Five, Alanine, N-benzyloxycarbonyl-3,3-dimethyl-, 1,2-dibromoethyl ester, L- has 1 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 Alanine, N-benzyloxycarbonyl-3,3-dimethyl-, 1,2-dibromoethyl ester, L-?
The CAS number of Alanine, N-benzyloxycarbonyl-3,3-dimethyl-, 1,2-dibromoethyl ester, L- is 73680-51-0.
What is the molecular formula of Alanine, N-benzyloxycarbonyl-3,3-dimethyl-, 1,2-dibromoethyl ester, L-?
The molecular formula of Alanine, N-benzyloxycarbonyl-3,3-dimethyl-, 1,2-dibromoethyl ester, L- is C15H19Br2NO4.
What is the molecular weight of Alanine, N-benzyloxycarbonyl-3,3-dimethyl-, 1,2-dibromoethyl ester, L-?
The molecular weight of Alanine, N-benzyloxycarbonyl-3,3-dimethyl-, 1,2-dibromoethyl ester, L- is 434.97 g/mol.
Where can I buy Alanine, N-benzyloxycarbonyl-3,3-dimethyl-, 1,2-dibromoethyl ester, L-?
You can request a quote for Alanine, N-benzyloxycarbonyl-3,3-dimethyl-, 1,2-dibromoethyl ester, L- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alanine, N-benzyloxycarbonyl-3,3-dimethyl-, 1,2-dibromoethyl ester, L-?
Yes, KEHONG BIO provides custom synthesis services for Alanine, N-benzyloxycarbonyl-3,3-dimethyl-, 1,2-dibromoethyl ester, L- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.