(S)-tert-butyl 3-(tert-butoxycarbonylamino)-4-hydroxybutanoate
TL;DR: (S)-tert-butyl 3-(tert-butoxycarbonylamino)-4-hydroxybutanoate (CAS 153287-86-6) 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.
tert-butyl 4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Also Known As: 2,4-dimethylpyrimidine-5-carboxamide, (S)-tert-butyl 3-(tert-butoxycarbonylamino)-4-hydroxybutanoate, (S)-tert-Butyl 3-((tert-butoxycarbonyl)amino)-4-hydroxybutanoate, tert-butyl 3-(tert-butoxycarbonylamino)-4-hydroxy-butanoate, Tert-butyl 4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
| Molecular Formula | C13H25NO5 |
|---|---|
| Molecular Weight | 275.17 g/mol |
| LogP | 1.6038 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.17328 |
| Heavy Atoms | 19 |
| Complexity | 283.9757 |
Chemical Identifiers
| CAS Number | 153287-86-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CC(CO)NC(=O)OC(C)(C)C |
Product Overview
(S)-tert-butyl 3-(tert-butoxycarbonylamino)-4-hydroxybutanoate (CAS 153287-86-6), with molecular formula C13H25NO5 and molecular weight 275.17 g/mol. IUPAC: tert-butyl 4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.
Chemical Property Profile of (S)-tert-butyl 3-(tert-butoxycarbonylamino)-4-hydroxybutanoate
Property Insights of (S)-tert-butyl 3-(tert-butoxycarbonylamino)-4-hydroxybutanoate
The XLogP value of 1.6038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-tert-butyl 3-(tert-butoxycarbonylamino)-4-hydroxybutanoate. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-tert-butyl 3-(tert-butoxycarbonylamino)-4-hydroxybutanoate. Following Lipinski's Rule of Five, (S)-tert-butyl 3-(tert-butoxycarbonylamino)-4-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 (S)-tert-butyl 3-(tert-butoxycarbonylamino)-4-hydroxybutanoate?
The CAS number of (S)-tert-butyl 3-(tert-butoxycarbonylamino)-4-hydroxybutanoate is 153287-86-6.
What is the molecular formula of (S)-tert-butyl 3-(tert-butoxycarbonylamino)-4-hydroxybutanoate?
The molecular formula of (S)-tert-butyl 3-(tert-butoxycarbonylamino)-4-hydroxybutanoate is C13H25NO5.
What is the molecular weight of (S)-tert-butyl 3-(tert-butoxycarbonylamino)-4-hydroxybutanoate?
The molecular weight of (S)-tert-butyl 3-(tert-butoxycarbonylamino)-4-hydroxybutanoate is 275.17 g/mol.
Where can I buy (S)-tert-butyl 3-(tert-butoxycarbonylamino)-4-hydroxybutanoate?
You can request a quote for (S)-tert-butyl 3-(tert-butoxycarbonylamino)-4-hydroxybutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-tert-butyl 3-(tert-butoxycarbonylamino)-4-hydroxybutanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-tert-butyl 3-(tert-butoxycarbonylamino)-4-hydroxybutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.