(2S)-2-(tert-butoxycarbonylamino)-3-(1,1-dioxothian-4-yl)propanoic acid
TL;DR: (2S)-2-(tert-butoxycarbonylamino)-3-(1,1-dioxothian-4-yl)propanoic acid (CAS 369403-00-9) is a chemical compound with molecular formula C13H23NO6S and molecular weight 321.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-(1,1-dioxothian-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Also Known As: (2S)-2-(tert-butoxycarbonylamino)-3-(1,1-dioxothian-4-yl)propanoic acid, (2S)-3-(1,1-dioxothian-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, 3-(1,1-dioxothian-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid
| Molecular Formula | C13H23NO6S |
|---|---|
| Molecular Weight | 321.12 g/mol |
| LogP | 1.1792 |
| Topological Polar Surface Area | 109.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.1246 |
| Heavy Atoms | 21 |
| Complexity | 479.2811 |
Chemical Identifiers
| CAS Number | 369403-00-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1CCS(=O)(=O)CC1)C(=O)O |
Product Overview
(2S)-2-(tert-butoxycarbonylamino)-3-(1,1-dioxothian-4-yl)propanoic acid (CAS 369403-00-9), with molecular formula C13H23NO6S and molecular weight 321.12 g/mol. IUPAC: (2S)-3-(1,1-dioxothian-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
Chemical Property Profile of (2S)-2-(tert-butoxycarbonylamino)-3-(1,1-dioxothian-4-yl)propanoic acid
Property Insights of (2S)-2-(tert-butoxycarbonylamino)-3-(1,1-dioxothian-4-yl)propanoic acid
The XLogP value of 1.1792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-(tert-butoxycarbonylamino)-3-(1,1-dioxothian-4-yl)propanoic acid. The TPSA of 109.77 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-(tert-butoxycarbonylamino)-3-(1,1-dioxothian-4-yl)propanoic acid. Following Lipinski's Rule of Five, (2S)-2-(tert-butoxycarbonylamino)-3-(1,1-dioxothian-4-yl)propanoic acid 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 (2S)-2-(tert-butoxycarbonylamino)-3-(1,1-dioxothian-4-yl)propanoic acid?
The CAS number of (2S)-2-(tert-butoxycarbonylamino)-3-(1,1-dioxothian-4-yl)propanoic acid is 369403-00-9.
What is the molecular formula of (2S)-2-(tert-butoxycarbonylamino)-3-(1,1-dioxothian-4-yl)propanoic acid?
The molecular formula of (2S)-2-(tert-butoxycarbonylamino)-3-(1,1-dioxothian-4-yl)propanoic acid is C13H23NO6S.
What is the molecular weight of (2S)-2-(tert-butoxycarbonylamino)-3-(1,1-dioxothian-4-yl)propanoic acid?
The molecular weight of (2S)-2-(tert-butoxycarbonylamino)-3-(1,1-dioxothian-4-yl)propanoic acid is 321.12 g/mol.
Where can I buy (2S)-2-(tert-butoxycarbonylamino)-3-(1,1-dioxothian-4-yl)propanoic acid?
You can request a quote for (2S)-2-(tert-butoxycarbonylamino)-3-(1,1-dioxothian-4-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-(tert-butoxycarbonylamino)-3-(1,1-dioxothian-4-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-(tert-butoxycarbonylamino)-3-(1,1-dioxothian-4-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.