BOC-D-THR(TBU)-OH
TL;DR: BOC-D-THR(TBU)-OH (CAS 201217-86-9) is a chemical compound with molecular formula C13H25NO5 and molecular weight 275.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Also Known As: BOC-D-THR(TBU)-OH, n-(tert-butoxycarbonyl)-o-tert-butyl-l-threonine, J3.106.147D, (2S)-2-(tert-Butoxycarbonylamino)-3-tert-butoxybutanoic acid, (2S)-3-tert-butoxy-2-(tert-butoxycarbonylamino)butanoic acid
| Molecular Formula | C13H25NO5 |
|---|---|
| Molecular Weight | 275.17 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 275.17328 |
| Heavy Atoms | 19 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 201217-86-9 |
|---|---|
| SMILES | CC([C@@H](C(=O)O)NC(=O)OC(C)(C)C)OC(C)(C)C |
| InChIKey | LKRXXARJBFBMCE-GKAPJAKFSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
BOC-D-THR(TBU)-OH (CAS 201217-86-9), with molecular formula C13H25NO5 and molecular weight 275.17 g/mol. IUPAC: (2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.
Chemical Property Profile of BOC-D-THR(TBU)-OH
Property Insights of BOC-D-THR(TBU)-OH
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BOC-D-THR(TBU)-OH. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BOC-D-THR(TBU)-OH. Following Lipinski's Rule of Five, BOC-D-THR(TBU)-OH has 2 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 BOC-D-THR(TBU)-OH?
The CAS number of BOC-D-THR(TBU)-OH is 201217-86-9.
What is the molecular formula of BOC-D-THR(TBU)-OH?
The molecular formula of BOC-D-THR(TBU)-OH is C13H25NO5.
What is the molecular weight of BOC-D-THR(TBU)-OH?
The molecular weight of BOC-D-THR(TBU)-OH is 275.17 g/mol.
Where can I buy BOC-D-THR(TBU)-OH?
You can request a quote for BOC-D-THR(TBU)-OH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BOC-D-THR(TBU)-OH?
Yes, KEHONG BIO provides custom synthesis services for BOC-D-THR(TBU)-OH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.