N-((1,1-Dimethylethoxy)carbonyl)-D-alloisoleucine
TL;DR: N-((1,1-Dimethylethoxy)carbonyl)-D-alloisoleucine (CAS 55780-90-0) is a chemical compound with molecular formula C11H21NO4 and molecular weight 231.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Also Known As: BOC-D-allo-Isoleucine, BOC-D-ALLO-ILE-OH, Boc-L-isoleucine, Boc-D-allo-lle-OH, boc-d-alloisoleucine
| Molecular Formula | C11H21NO4 |
|---|---|
| Molecular Weight | 231.15 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 231.14706 |
| Heavy Atoms | 16 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 55780-90-0 |
|---|---|
| SMILES | CC[C@H](C)[C@H](C(=O)O)NC(=O)OC(C)(C)C |
| InChIKey | QJCNLJWUIOIMMF-JGVFFNPUSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-((1,1-Dimethylethoxy)carbonyl)-D-alloisoleucine (CAS 55780-90-0), with molecular formula C11H21NO4 and molecular weight 231.15 g/mol. IUPAC: (2R,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid.
Chemical Property Profile of N-((1,1-Dimethylethoxy)carbonyl)-D-alloisoleucine
Property Insights of N-((1,1-Dimethylethoxy)carbonyl)-D-alloisoleucine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((1,1-Dimethylethoxy)carbonyl)-D-alloisoleucine. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((1,1-Dimethylethoxy)carbonyl)-D-alloisoleucine. Following Lipinski's Rule of Five, N-((1,1-Dimethylethoxy)carbonyl)-D-alloisoleucine 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 N-((1,1-Dimethylethoxy)carbonyl)-D-alloisoleucine?
The CAS number of N-((1,1-Dimethylethoxy)carbonyl)-D-alloisoleucine is 55780-90-0.
What is the molecular formula of N-((1,1-Dimethylethoxy)carbonyl)-D-alloisoleucine?
The molecular formula of N-((1,1-Dimethylethoxy)carbonyl)-D-alloisoleucine is C11H21NO4.
What is the molecular weight of N-((1,1-Dimethylethoxy)carbonyl)-D-alloisoleucine?
The molecular weight of N-((1,1-Dimethylethoxy)carbonyl)-D-alloisoleucine is 231.15 g/mol.
Where can I buy N-((1,1-Dimethylethoxy)carbonyl)-D-alloisoleucine?
You can request a quote for N-((1,1-Dimethylethoxy)carbonyl)-D-alloisoleucine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((1,1-Dimethylethoxy)carbonyl)-D-alloisoleucine?
Yes, KEHONG BIO provides custom synthesis services for N-((1,1-Dimethylethoxy)carbonyl)-D-alloisoleucine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.