(2,3'-Bi-1H-pyrrole)-4-acetic acid, 5'-((2S,3S)-3-(((1,1-dimethylethoxy)carbonyl)amino)-2-hydroxy-4-phenylbutyl)-2,3,4',5'-tetrahydro-2-(2-methylpropyl)-3,4'-dioxo-alpha,5'-bis(phenylmethyl)-, methyl ester, (aR,2S,5'S)-
TL;DR: (2,3'-Bi-1H-pyrrole)-4-acetic acid, 5'-((2S,3S)-3-(((1,1-dimethylethoxy)carbonyl)amino)-2-hydroxy-4-phenylbutyl)-2,3,4',5'-tetrahydro-2-(2-methylpropyl)-3,4'-dioxo-alpha,5'-bis(phenylmethyl)-, methyl ester, (aR,2S,5'S)- (CAS 173091-93-5) is a chemical compound with molecular formula C44H53N3O7 and molecular weight 735.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2R)-2-[(5S)-5-[(5S)-5-benzyl-5-[(2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]-4-oxo-1H-pyrrol-3-yl]-5-(2-methylpropyl)-4-oxo-1H-pyrrol-3-yl]-3-phenylpropanoate
Also Known As: (2,3'-Bi-1H-pyrrole)-4-acetic acid, 5'-((2S,3S)-3-(((1,1-dimethylethoxy)carbonyl)amino)-2-hydroxy-4-phenylbutyl)-2,3,4',5'-tetrahydro-2-(2-methylpropyl)-3,4'-dioxo-alpha,5'-bis(phenylmethyl)-, methyl ester, (aR,2S,5'S)-, [2,3'-Bi-1H-pyrrole]-4-acetic acid, 5'-[(2S,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl]-2,3,4',5'-tetrahydro-2-(2-methylpropyl)-3,4'-dioxo-a,5'-bis(phenylmethyl)-, methyl ester, (aR,2S,5'S)-, Methyl (2R)-2-[(2S,5'S)-5'-benzyl-5'-{(2S,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-2-(2-methylpropyl)-3,4'-dioxo-2,3,4',5'-tetrahydro-1H,1'H-[2,3'-bipyrrol]-4-yl]-3-phenylpropanoate, methyl (2R)-2-[(5S)-5-[(5S)-5-benzyl-5-[(2S,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-4-phenyl-butyl]-4-oxo-1H-pyrrol-3-yl]-5-isobutyl-4-oxo-1H-pyrrol-3-yl]-3-phenyl-propanoate
| Molecular Formula | C44H53N3O7 |
|---|---|
| Molecular Weight | 735.39 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 18 |
| Exact Mass | 735.38837 |
| Heavy Atoms | 54 |
| Complexity | 1380.0 |
Chemical Identifiers
| CAS Number | 173091-93-5 |
|---|---|
| SMILES | CC(C)C[C@@]1(C(=O)C(=CN1)[C@@H](CC2=CC=CC=C2)C(=O)OC)C3=CN[C@@](C3=O)(CC4=CC=CC=C4)C[C@@H]([C@H](CC5=CC=CC=C5)NC(=O)OC(C)(C)C)O |
| InChIKey | QUDJJQVGSBUVMG-WYIKCZTRSA-N |
Product Overview
(2,3'-Bi-1H-pyrrole)-4-acetic acid, 5'-((2S,3S)-3-(((1,1-dimethylethoxy)carbonyl)amino)-2-hydroxy-4-phenylbutyl)-2,3,4',5'-tetrahydro-2-(2-methylpropyl)-3,4'-dioxo-alpha,5'-bis(phenylmethyl)-, methyl ester, (aR,2S,5'S)- (CAS 173091-93-5), with molecular formula C44H53N3O7 and molecular weight 735.39 g/mol. IUPAC: methyl (2R)-2-[(5S)-5-[(5S)-5-benzyl-5-[(2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]-4-oxo-1H-pyrrol-3-yl]-5-(2-methylpropyl)-4-oxo-1H-pyrrol-3-yl]-3-phenylpropanoate.
Chemical Property Profile of (2,3'-Bi-1H-pyrrole)-4-acetic acid, 5'-((2S,3S)-3-(((1,1-dimethylethoxy)carbonyl)amino)-2-hydroxy-4-phenylbutyl)-2,3,4',5'-tetrahydro-2-(2-methylpropyl)-3,4'-dioxo-alpha,5'-bis(phenylmethyl)-, methyl ester, (aR,2S,5'S)-
Property Insights of (2,3'-Bi-1H-pyrrole)-4-acetic acid, 5'-((2S,3S)-3-(((1,1-dimethylethoxy)carbonyl)amino)-2-hydroxy-4-phenylbutyl)-2,3,4',5'-tetrahydro-2-(2-methylpropyl)-3,4'-dioxo-alpha,5'-bis(phenylmethyl)-, methyl ester, (aR,2S,5'S)-
The XLogP value of 7.5 indicates that (2,3'-Bi-1H-pyrrole)-4-acetic acid, 5'-((2S,3S)-3-(((1,1-dimethylethoxy)carbonyl)amino)-2-hydroxy-4-phenylbutyl)-2,3,4',5'-tetrahydro-2-(2-methylpropyl)-3,4'-dioxo-alpha,5'-bis(phenylmethyl)-, methyl ester, (aR,2S,5'S)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 143.0 Ų indicates high polarity, suggesting (2,3'-Bi-1H-pyrrole)-4-acetic acid, 5'-((2S,3S)-3-(((1,1-dimethylethoxy)carbonyl)amino)-2-hydroxy-4-phenylbutyl)-2,3,4',5'-tetrahydro-2-(2-methylpropyl)-3,4'-dioxo-alpha,5'-bis(phenylmethyl)-, methyl ester, (aR,2S,5'S)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2,3'-Bi-1H-pyrrole)-4-acetic acid, 5'-((2S,3S)-3-(((1,1-dimethylethoxy)carbonyl)amino)-2-hydroxy-4-phenylbutyl)-2,3,4',5'-tetrahydro-2-(2-methylpropyl)-3,4'-dioxo-alpha,5'-bis(phenylmethyl)-, methyl ester, (aR,2S,5'S)- has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2,3'-Bi-1H-pyrrole)-4-acetic acid, 5'-((2S,3S)-3-(((1,1-dimethylethoxy)carbonyl)amino)-2-hydroxy-4-phenylbutyl)-2,3,4',5'-tetrahydro-2-(2-methylpropyl)-3,4'-dioxo-alpha,5'-bis(phenylmethyl)-, methyl ester, (aR,2S,5'S)-?
The CAS number of (2,3'-Bi-1H-pyrrole)-4-acetic acid, 5'-((2S,3S)-3-(((1,1-dimethylethoxy)carbonyl)amino)-2-hydroxy-4-phenylbutyl)-2,3,4',5'-tetrahydro-2-(2-methylpropyl)-3,4'-dioxo-alpha,5'-bis(phenylmethyl)-, methyl ester, (aR,2S,5'S)- is 173091-93-5.
What is the molecular formula of (2,3'-Bi-1H-pyrrole)-4-acetic acid, 5'-((2S,3S)-3-(((1,1-dimethylethoxy)carbonyl)amino)-2-hydroxy-4-phenylbutyl)-2,3,4',5'-tetrahydro-2-(2-methylpropyl)-3,4'-dioxo-alpha,5'-bis(phenylmethyl)-, methyl ester, (aR,2S,5'S)-?
The molecular formula of (2,3'-Bi-1H-pyrrole)-4-acetic acid, 5'-((2S,3S)-3-(((1,1-dimethylethoxy)carbonyl)amino)-2-hydroxy-4-phenylbutyl)-2,3,4',5'-tetrahydro-2-(2-methylpropyl)-3,4'-dioxo-alpha,5'-bis(phenylmethyl)-, methyl ester, (aR,2S,5'S)- is C44H53N3O7.
What is the molecular weight of (2,3'-Bi-1H-pyrrole)-4-acetic acid, 5'-((2S,3S)-3-(((1,1-dimethylethoxy)carbonyl)amino)-2-hydroxy-4-phenylbutyl)-2,3,4',5'-tetrahydro-2-(2-methylpropyl)-3,4'-dioxo-alpha,5'-bis(phenylmethyl)-, methyl ester, (aR,2S,5'S)-?
The molecular weight of (2,3'-Bi-1H-pyrrole)-4-acetic acid, 5'-((2S,3S)-3-(((1,1-dimethylethoxy)carbonyl)amino)-2-hydroxy-4-phenylbutyl)-2,3,4',5'-tetrahydro-2-(2-methylpropyl)-3,4'-dioxo-alpha,5'-bis(phenylmethyl)-, methyl ester, (aR,2S,5'S)- is 735.39 g/mol.
Where can I buy (2,3'-Bi-1H-pyrrole)-4-acetic acid, 5'-((2S,3S)-3-(((1,1-dimethylethoxy)carbonyl)amino)-2-hydroxy-4-phenylbutyl)-2,3,4',5'-tetrahydro-2-(2-methylpropyl)-3,4'-dioxo-alpha,5'-bis(phenylmethyl)-, methyl ester, (aR,2S,5'S)-?
You can request a quote for (2,3'-Bi-1H-pyrrole)-4-acetic acid, 5'-((2S,3S)-3-(((1,1-dimethylethoxy)carbonyl)amino)-2-hydroxy-4-phenylbutyl)-2,3,4',5'-tetrahydro-2-(2-methylpropyl)-3,4'-dioxo-alpha,5'-bis(phenylmethyl)-, methyl ester, (aR,2S,5'S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,3'-Bi-1H-pyrrole)-4-acetic acid, 5'-((2S,3S)-3-(((1,1-dimethylethoxy)carbonyl)amino)-2-hydroxy-4-phenylbutyl)-2,3,4',5'-tetrahydro-2-(2-methylpropyl)-3,4'-dioxo-alpha,5'-bis(phenylmethyl)-, methyl ester, (aR,2S,5'S)-?
Yes, KEHONG BIO provides custom synthesis services for (2,3'-Bi-1H-pyrrole)-4-acetic acid, 5'-((2S,3S)-3-(((1,1-dimethylethoxy)carbonyl)amino)-2-hydroxy-4-phenylbutyl)-2,3,4',5'-tetrahydro-2-(2-methylpropyl)-3,4'-dioxo-alpha,5'-bis(phenylmethyl)-, methyl ester, (aR,2S,5'S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.