Benzyl 2-(((1-benzyl-2-((4-(((2,2-dihydroxyhydrazino)(imino)methyl)amino)-1-(methoxycarbonyl)butyl)amino)-2-oxoethyl)amino)carbonyl)-1-pyrrolidinecarboxylate
TL;DR: Benzyl 2-(((1-benzyl-2-((4-(((2,2-dihydroxyhydrazino)(imino)methyl)amino)-1-(methoxycarbonyl)butyl)amino)-2-oxoethyl)amino)carbonyl)-1-pyrrolidinecarboxylate (CAS 6464-80-8) is a chemical compound with molecular formula C29H37N7O8 and molecular weight 611.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[[1-[[5-[[amino(nitramido)methylidene]amino]-1-methoxy-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
Also Known As: Benzyl 2-(((1-benzyl-2-((4-(((2,2-dihydroxyhydrazino)(imino)methyl)amino)-1-(methoxycarbonyl)butyl)amino)-2-oxoethyl)amino)carbonyl)-1-pyrrolidinecarboxylate, benzyl 2-[[1-[[5-[[amino(nitramido)methylidene]amino]-1-methoxy-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate, 1-[(Benzyloxy)carbonyl]-N-(1-hydroxy-1-{[1-methoxy-5-(N'-nitrocarbamimidamido)-1-oxopentan-2-yl]imino}-3-phenylpropan-2-yl)pyrrolidine-2-carboximidic acid, 1-[(Benzyloxy)carbonyl]-N-[1-hydroxy-1-({1-methoxy-5-[(N-nitrocarbamimidoyl)amino]-1-oxopentan-2-yl}imino)-3-phenylpropan-2-yl]pyrrolidine-2-carboximidic acid, benzyl 2-[[1-benzyl-2-[[1-methoxycarbonyl-4-[(N-nitrocarbamimidoyl)amino]butyl]amino]-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carboxylate
| Molecular Formula | C29H37N7O8 |
|---|---|
| Molecular Weight | 611.27 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 210.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 16 |
| Exact Mass | 611.2704 |
| Heavy Atoms | 44 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 6464-80-8 |
|---|---|
| SMILES | COC(=O)C(CCCN=C(N)N[N+](=O)[O-])NC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3 |
| InChIKey | WDOQDCDXQXXUJI-UHFFFAOYSA-N |
Product Overview
Benzyl 2-(((1-benzyl-2-((4-(((2,2-dihydroxyhydrazino)(imino)methyl)amino)-1-(methoxycarbonyl)butyl)amino)-2-oxoethyl)amino)carbonyl)-1-pyrrolidinecarboxylate (CAS 6464-80-8), with molecular formula C29H37N7O8 and molecular weight 611.27 g/mol. IUPAC: benzyl 2-[[1-[[5-[[amino(nitramido)methylidene]amino]-1-methoxy-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate.
Chemical Property Profile of Benzyl 2-(((1-benzyl-2-((4-(((2,2-dihydroxyhydrazino)(imino)methyl)amino)-1-(methoxycarbonyl)butyl)amino)-2-oxoethyl)amino)carbonyl)-1-pyrrolidinecarboxylate
Property Insights of Benzyl 2-(((1-benzyl-2-((4-(((2,2-dihydroxyhydrazino)(imino)methyl)amino)-1-(methoxycarbonyl)butyl)amino)-2-oxoethyl)amino)carbonyl)-1-pyrrolidinecarboxylate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 2-(((1-benzyl-2-((4-(((2,2-dihydroxyhydrazino)(imino)methyl)amino)-1-(methoxycarbonyl)butyl)amino)-2-oxoethyl)amino)carbonyl)-1-pyrrolidinecarboxylate. The TPSA of 210.0 Ų indicates high polarity, suggesting Benzyl 2-(((1-benzyl-2-((4-(((2,2-dihydroxyhydrazino)(imino)methyl)amino)-1-(methoxycarbonyl)butyl)amino)-2-oxoethyl)amino)carbonyl)-1-pyrrolidinecarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzyl 2-(((1-benzyl-2-((4-(((2,2-dihydroxyhydrazino)(imino)methyl)amino)-1-(methoxycarbonyl)butyl)amino)-2-oxoethyl)amino)carbonyl)-1-pyrrolidinecarboxylate 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 Benzyl 2-(((1-benzyl-2-((4-(((2,2-dihydroxyhydrazino)(imino)methyl)amino)-1-(methoxycarbonyl)butyl)amino)-2-oxoethyl)amino)carbonyl)-1-pyrrolidinecarboxylate?
The CAS number of Benzyl 2-(((1-benzyl-2-((4-(((2,2-dihydroxyhydrazino)(imino)methyl)amino)-1-(methoxycarbonyl)butyl)amino)-2-oxoethyl)amino)carbonyl)-1-pyrrolidinecarboxylate is 6464-80-8.
What is the molecular formula of Benzyl 2-(((1-benzyl-2-((4-(((2,2-dihydroxyhydrazino)(imino)methyl)amino)-1-(methoxycarbonyl)butyl)amino)-2-oxoethyl)amino)carbonyl)-1-pyrrolidinecarboxylate?
The molecular formula of Benzyl 2-(((1-benzyl-2-((4-(((2,2-dihydroxyhydrazino)(imino)methyl)amino)-1-(methoxycarbonyl)butyl)amino)-2-oxoethyl)amino)carbonyl)-1-pyrrolidinecarboxylate is C29H37N7O8.
What is the molecular weight of Benzyl 2-(((1-benzyl-2-((4-(((2,2-dihydroxyhydrazino)(imino)methyl)amino)-1-(methoxycarbonyl)butyl)amino)-2-oxoethyl)amino)carbonyl)-1-pyrrolidinecarboxylate?
The molecular weight of Benzyl 2-(((1-benzyl-2-((4-(((2,2-dihydroxyhydrazino)(imino)methyl)amino)-1-(methoxycarbonyl)butyl)amino)-2-oxoethyl)amino)carbonyl)-1-pyrrolidinecarboxylate is 611.27 g/mol.
Where can I buy Benzyl 2-(((1-benzyl-2-((4-(((2,2-dihydroxyhydrazino)(imino)methyl)amino)-1-(methoxycarbonyl)butyl)amino)-2-oxoethyl)amino)carbonyl)-1-pyrrolidinecarboxylate?
You can request a quote for Benzyl 2-(((1-benzyl-2-((4-(((2,2-dihydroxyhydrazino)(imino)methyl)amino)-1-(methoxycarbonyl)butyl)amino)-2-oxoethyl)amino)carbonyl)-1-pyrrolidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2-(((1-benzyl-2-((4-(((2,2-dihydroxyhydrazino)(imino)methyl)amino)-1-(methoxycarbonyl)butyl)amino)-2-oxoethyl)amino)carbonyl)-1-pyrrolidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-(((1-benzyl-2-((4-(((2,2-dihydroxyhydrazino)(imino)methyl)amino)-1-(methoxycarbonyl)butyl)amino)-2-oxoethyl)amino)carbonyl)-1-pyrrolidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.