Urea, N-ethyl-N-nitroso-N'-(3-pyridinylmethyl)-, ethanedioate (1:1)
TL;DR: Urea, N-ethyl-N-nitroso-N'-(3-pyridinylmethyl)-, ethanedioate (1:1) (CAS 58550-47-3) is a chemical compound with molecular formula C11H14N4O6 and molecular weight 298.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-1-nitroso-3-(pyridin-3-ylmethyl)urea;oxalic acid
Also Known As: Urea, N-ethyl-N-nitroso-N'-(3-pyridinylmethyl)-, ethanedioate (1:1), 1-ethyl-1-nitroso-3-(pyridin-3-ylmethyl)urea,oxalic acid, 1-ethyl-1-nitroso-3-(pyridin-3-ylmethyl)urea; oxalic acid, Oxalic acid--N-ethyl-N-nitroso-N'-[(pyridin-3-yl)methyl]urea (1/1)
| Molecular Formula | C11H14N4O6 |
|---|---|
| Molecular Weight | 298.09 g/mol |
| LogP | 0.4501 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.09134 |
| Heavy Atoms | 21 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 58550-47-3 |
|---|---|
| SMILES | CCN(C(=O)NCC1=CN=CC=C1)N=O.C(=O)(C(=O)O)O |
| InChIKey | NLMOBWYYLNHWOC-UHFFFAOYSA-N |
Product Overview
Urea, N-ethyl-N-nitroso-N'-(3-pyridinylmethyl)-, ethanedioate (1:1) (CAS 58550-47-3), with molecular formula C11H14N4O6 and molecular weight 298.09 g/mol. IUPAC: 1-ethyl-1-nitroso-3-(pyridin-3-ylmethyl)urea;oxalic acid.
Chemical Property Profile of Urea, N-ethyl-N-nitroso-N'-(3-pyridinylmethyl)-, ethanedioate (1:1)
Property Insights of Urea, N-ethyl-N-nitroso-N'-(3-pyridinylmethyl)-, ethanedioate (1:1)
The XLogP value of 0.4501 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, N-ethyl-N-nitroso-N'-(3-pyridinylmethyl)-, ethanedioate (1:1). The TPSA of 149.0 Ų indicates high polarity, suggesting Urea, N-ethyl-N-nitroso-N'-(3-pyridinylmethyl)-, ethanedioate (1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Urea, N-ethyl-N-nitroso-N'-(3-pyridinylmethyl)-, ethanedioate (1:1) has 3 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 Urea, N-ethyl-N-nitroso-N'-(3-pyridinylmethyl)-, ethanedioate (1:1)?
The CAS number of Urea, N-ethyl-N-nitroso-N'-(3-pyridinylmethyl)-, ethanedioate (1:1) is 58550-47-3.
What is the molecular formula of Urea, N-ethyl-N-nitroso-N'-(3-pyridinylmethyl)-, ethanedioate (1:1)?
The molecular formula of Urea, N-ethyl-N-nitroso-N'-(3-pyridinylmethyl)-, ethanedioate (1:1) is C11H14N4O6.
What is the molecular weight of Urea, N-ethyl-N-nitroso-N'-(3-pyridinylmethyl)-, ethanedioate (1:1)?
The molecular weight of Urea, N-ethyl-N-nitroso-N'-(3-pyridinylmethyl)-, ethanedioate (1:1) is 298.09 g/mol.
Where can I buy Urea, N-ethyl-N-nitroso-N'-(3-pyridinylmethyl)-, ethanedioate (1:1)?
You can request a quote for Urea, N-ethyl-N-nitroso-N'-(3-pyridinylmethyl)-, ethanedioate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, N-ethyl-N-nitroso-N'-(3-pyridinylmethyl)-, ethanedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Urea, N-ethyl-N-nitroso-N'-(3-pyridinylmethyl)-, ethanedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.