N-(3-Carboxypropyl)-N-nitrosourea
TL;DR: N-(3-Carboxypropyl)-N-nitrosourea (CAS 108278-72-4) is a chemical compound with molecular formula C5H9N3O4 and molecular weight 175.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[carbamoyl(nitroso)amino]butanoic acid
Also Known As: N-(3-Carboxypropyl)-N-nitrosourea, 4-[carbamoyl(nitroso)amino]butanoic acid, 4-(1-Nitrosoureido)butanoic acid, Butanoic acid,4-[(aminocarbonyl)nitrosoamino]-, 4-[(Aminocarbonyl)nitrosoamino]butanoic acid
| Molecular Formula | C5H9N3O4 |
|---|---|
| Molecular Weight | 175.06 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 175.05931 |
| Heavy Atoms | 12 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 108278-72-4 |
|---|---|
| SMILES | C(CC(=O)O)CN(C(=O)N)N=O |
| InChIKey | TUKBNBLHKLAQIG-UHFFFAOYSA-N |
Product Overview
N-(3-Carboxypropyl)-N-nitrosourea (CAS 108278-72-4), with molecular formula C5H9N3O4 and molecular weight 175.06 g/mol. IUPAC: 4-[carbamoyl(nitroso)amino]butanoic acid.
Chemical Property Profile of N-(3-Carboxypropyl)-N-nitrosourea
Property Insights of N-(3-Carboxypropyl)-N-nitrosourea
The XLogP value of -0.7 indicates that N-(3-Carboxypropyl)-N-nitrosourea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-Carboxypropyl)-N-nitrosourea. Following Lipinski's Rule of Five, N-(3-Carboxypropyl)-N-nitrosourea has 2 hydrogen bond donor(s) and 5 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 N-(3-Carboxypropyl)-N-nitrosourea?
The CAS number of N-(3-Carboxypropyl)-N-nitrosourea is 108278-72-4.
What is the molecular formula of N-(3-Carboxypropyl)-N-nitrosourea?
The molecular formula of N-(3-Carboxypropyl)-N-nitrosourea is C5H9N3O4.
What is the molecular weight of N-(3-Carboxypropyl)-N-nitrosourea?
The molecular weight of N-(3-Carboxypropyl)-N-nitrosourea is 175.06 g/mol.
Where can I buy N-(3-Carboxypropyl)-N-nitrosourea?
You can request a quote for N-(3-Carboxypropyl)-N-nitrosourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Carboxypropyl)-N-nitrosourea?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Carboxypropyl)-N-nitrosourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.