(S)-2-((5-(1-((tert-butoxycarbonyl)amino)-2-phenylethyl)-1,3,4-oxadiazol-2-yl)thio)acetic acid
TL;DR: (S)-2-((5-(1-((tert-butoxycarbonyl)amino)-2-phenylethyl)-1,3,4-oxadiazol-2-yl)thio)acetic acid (CAS 1164517-61-6) is a chemical compound with molecular formula C17H21N3O5S and molecular weight 379.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
Also Known As: (S)-2-((5-(1-((tert-butoxycarbonyl)amino)-2-phenylethyl)-1,3,4-oxadiazol-2-yl)thio)acetic acid, [(5-{(1S)-1-[(tert-butoxycarbonyl)amino]-2-phenylethyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid, 2-[[5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
| Molecular Formula | C17H21N3O5S |
|---|---|
| Molecular Weight | 379.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 379.12018 |
| Heavy Atoms | 26 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 1164517-61-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C2=NN=C(O2)SCC(=O)O |
| InChIKey | GECDNJNYMZBVBU-LBPRGKRZSA-N |
Product Overview
(S)-2-((5-(1-((tert-butoxycarbonyl)amino)-2-phenylethyl)-1,3,4-oxadiazol-2-yl)thio)acetic acid (CAS 1164517-61-6), with molecular formula C17H21N3O5S and molecular weight 379.12 g/mol. IUPAC: 2-[[5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid.
Chemical Property Profile of (S)-2-((5-(1-((tert-butoxycarbonyl)amino)-2-phenylethyl)-1,3,4-oxadiazol-2-yl)thio)acetic acid
Property Insights of (S)-2-((5-(1-((tert-butoxycarbonyl)amino)-2-phenylethyl)-1,3,4-oxadiazol-2-yl)thio)acetic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-((5-(1-((tert-butoxycarbonyl)amino)-2-phenylethyl)-1,3,4-oxadiazol-2-yl)thio)acetic acid. The TPSA of 140.0 Ų indicates high polarity, suggesting (S)-2-((5-(1-((tert-butoxycarbonyl)amino)-2-phenylethyl)-1,3,4-oxadiazol-2-yl)thio)acetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (S)-2-((5-(1-((tert-butoxycarbonyl)amino)-2-phenylethyl)-1,3,4-oxadiazol-2-yl)thio)acetic acid has 2 hydrogen bond donor(s) and 8 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)-2-((5-(1-((tert-butoxycarbonyl)amino)-2-phenylethyl)-1,3,4-oxadiazol-2-yl)thio)acetic acid?
The CAS number of (S)-2-((5-(1-((tert-butoxycarbonyl)amino)-2-phenylethyl)-1,3,4-oxadiazol-2-yl)thio)acetic acid is 1164517-61-6.
What is the molecular formula of (S)-2-((5-(1-((tert-butoxycarbonyl)amino)-2-phenylethyl)-1,3,4-oxadiazol-2-yl)thio)acetic acid?
The molecular formula of (S)-2-((5-(1-((tert-butoxycarbonyl)amino)-2-phenylethyl)-1,3,4-oxadiazol-2-yl)thio)acetic acid is C17H21N3O5S.
What is the molecular weight of (S)-2-((5-(1-((tert-butoxycarbonyl)amino)-2-phenylethyl)-1,3,4-oxadiazol-2-yl)thio)acetic acid?
The molecular weight of (S)-2-((5-(1-((tert-butoxycarbonyl)amino)-2-phenylethyl)-1,3,4-oxadiazol-2-yl)thio)acetic acid is 379.12 g/mol.
Where can I buy (S)-2-((5-(1-((tert-butoxycarbonyl)amino)-2-phenylethyl)-1,3,4-oxadiazol-2-yl)thio)acetic acid?
You can request a quote for (S)-2-((5-(1-((tert-butoxycarbonyl)amino)-2-phenylethyl)-1,3,4-oxadiazol-2-yl)thio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2-((5-(1-((tert-butoxycarbonyl)amino)-2-phenylethyl)-1,3,4-oxadiazol-2-yl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-((5-(1-((tert-butoxycarbonyl)amino)-2-phenylethyl)-1,3,4-oxadiazol-2-yl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.