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Methyl 2-{[(tert-butoxy)carbonyl]amino}-3-hydroxybutanoate
TL;DR: Methyl 2-{[(tert-butoxy)carbonyl]amino}-3-hydroxybutanoate (CAS 113525-91-0) is a chemical compound with molecular formula C10H19NO5 and molecular weight 233.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Also Known As: BOC-THR-OME, Boc-D-Thr-OMe, N-Boc-Thr-OMe, methyl 2-{[(tert-butoxy)carbonyl]amino}-3-hydroxybutanoate, Boc-L-Threonine methyl ester
| Molecular Formula | C10H19NO5 |
|---|---|
| Molecular Weight | 233.13 g/mol |
| LogP | 0.4335 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.12633 |
| Heavy Atoms | 16 |
| Complexity | 256.42523 |
Chemical Identifiers
| CAS Number | 113525-91-0 |
|---|---|
| SMILES | CC(C(C(=O)OC)NC(=O)OC(C)(C)C)O |
Product Overview
Methyl 2-{[(tert-butoxy)carbonyl]amino}-3-hydroxybutanoate (CAS 113525-91-0), with molecular formula C10H19NO5 and molecular weight 233.13 g/mol. IUPAC: methyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.
Chemical Property Profile of Methyl 2-{[(tert-butoxy)carbonyl]amino}-3-hydroxybutanoate
Property Insights of Methyl 2-{[(tert-butoxy)carbonyl]amino}-3-hydroxybutanoate
The XLogP value of 0.4335 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-{[(tert-butoxy)carbonyl]amino}-3-hydroxybutanoate. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-{[(tert-butoxy)carbonyl]amino}-3-hydroxybutanoate. Following Lipinski's Rule of Five, Methyl 2-{[(tert-butoxy)carbonyl]amino}-3-hydroxybutanoate 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 Methyl 2-{[(tert-butoxy)carbonyl]amino}-3-hydroxybutanoate?
The CAS number of Methyl 2-{[(tert-butoxy)carbonyl]amino}-3-hydroxybutanoate is 113525-91-0.
What is the molecular formula of Methyl 2-{[(tert-butoxy)carbonyl]amino}-3-hydroxybutanoate?
The molecular formula of Methyl 2-{[(tert-butoxy)carbonyl]amino}-3-hydroxybutanoate is C10H19NO5.
What is the molecular weight of Methyl 2-{[(tert-butoxy)carbonyl]amino}-3-hydroxybutanoate?
The molecular weight of Methyl 2-{[(tert-butoxy)carbonyl]amino}-3-hydroxybutanoate is 233.13 g/mol.
Where can I buy Methyl 2-{[(tert-butoxy)carbonyl]amino}-3-hydroxybutanoate?
You can request a quote for Methyl 2-{[(tert-butoxy)carbonyl]amino}-3-hydroxybutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-{[(tert-butoxy)carbonyl]amino}-3-hydroxybutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{[(tert-butoxy)carbonyl]amino}-3-hydroxybutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.