CERIUM (III) NITRATE,HYDROUS
TL;DR: CERIUM (III) NITRATE,HYDROUS (CAS 173091-97-9) is a chemical compound with molecular formula C47H58N4O7 and molecular weight 790.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S)-oxolan-3-yl] N-[(2S,3S)-4-[(2S)-2-benzyl-4-[(2S)-4-[(2R)-1-(tert-butylamino)-1-oxo-3-phenylpropan-2-yl]-2-(2-methylpropyl)-3-oxo-1H-pyrrol-2-yl]-3-oxo-1H-pyrrol-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Also Known As: CERIUM (III) NITRATE,HYDROUS, [(3S)-oxolan-3-yl] N-[(2S,3S)-4-[(2S)-2-benzyl-4-[(2S)-4-[(2R)-1-(tert-butylamino)-1-oxo-3-phenylpropan-2-yl]-2-(2-methylpropyl)-3-oxo-1H-pyrrol-2-yl]-3-oxo-1H-pyrrol-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate, Carbamic acid, ((1S,2S)-3-((2S,5'S)-4-((1R)-2-((1,1-dimethylethyl)amino)-2-oxo-1-(phenylmethyl)ethyl)-2,3,4',5'-tetrahydro-2-(2-methylpropyl)-3,4'-dioxo-5'-(phenylmethyl)(2,3'-bi-1H-pyrrol)-5'-yl)-2-hydroxy-1-(phenylmethyl)propyl)-, (3S)-tetrahydro-3-furanyl ester, (2R)-2-[(2S,5'S)-5'-Benzyl-5'-{(2S,3S)-2-hydroxy-3-[(hydroxy{[(3S)-oxolan-3-yl]oxy}methylidene)amino]-4-phenylbutyl}-2-(2-methylpropyl)-3,4'-dioxo-2,3,4',5'-tetrahydro-1H,1'H-[2,3'-bipyrrol]-4-yl]-N-tert-butyl-3-phenylpropanimidic acid, [(3S)-tetrahydrofuran-3-yl] N-[(1S,2S)-1-benzyl-3-[(2S)-2-benzyl-4-[(2S)-4-[(1R)-1-benzyl-2-(tert-butylamino)-2-oxo-ethyl]-2-isobutyl-3-oxo-1H-pyrrol-2-yl]-3-oxo-1H-pyrrol-2-yl]-2-hydroxy-propyl]carbamate
| Molecular Formula | C47H58N4O7 |
|---|---|
| Molecular Weight | 790.43 g/mol |
| LogP | 5.5162 |
| Topological Polar Surface Area | 155.09 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 16 |
| Exact Mass | 790.43054 |
| Heavy Atoms | 58 |
| Complexity | 1971.716 |
Chemical Identifiers
| CAS Number | 173091-97-9 |
|---|---|
| SMILES | CC(C)C[C@@]1(C(=O)C(=CN1)[C@@H](CC2=CC=CC=C2)C(=O)NC(C)(C)C)C3=CN[C@@](C3=O)(CC4=CC=CC=C4)C[C@@H]([C@H](CC5=CC=CC=C5)NC(=O)O[C@H]6CCOC6)O |
Product Overview
CERIUM (III) NITRATE,HYDROUS (CAS 173091-97-9), with molecular formula C47H58N4O7 and molecular weight 790.43 g/mol. IUPAC: [(3S)-oxolan-3-yl] N-[(2S,3S)-4-[(2S)-2-benzyl-4-[(2S)-4-[(2R)-1-(tert-butylamino)-1-oxo-3-phenylpropan-2-yl]-2-(2-methylpropyl)-3-oxo-1H-pyrrol-2-yl]-3-oxo-1H-pyrrol-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate.
Chemical Property Profile of CERIUM (III) NITRATE,HYDROUS
Property Insights of CERIUM (III) NITRATE,HYDROUS
The XLogP value of 5.5162 indicates that CERIUM (III) NITRATE,HYDROUS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.09 Ų indicates high polarity, suggesting CERIUM (III) NITRATE,HYDROUS may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CERIUM (III) NITRATE,HYDROUS has 5 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 CERIUM (III) NITRATE,HYDROUS?
The CAS number of CERIUM (III) NITRATE,HYDROUS is 173091-97-9.
What is the molecular formula of CERIUM (III) NITRATE,HYDROUS?
The molecular formula of CERIUM (III) NITRATE,HYDROUS is C47H58N4O7.
What is the molecular weight of CERIUM (III) NITRATE,HYDROUS?
The molecular weight of CERIUM (III) NITRATE,HYDROUS is 790.43 g/mol.
Where can I buy CERIUM (III) NITRATE,HYDROUS?
You can request a quote for CERIUM (III) NITRATE,HYDROUS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CERIUM (III) NITRATE,HYDROUS?
Yes, KEHONG BIO provides custom synthesis services for CERIUM (III) NITRATE,HYDROUS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.