3-Carboxypropyl-(2-propenyl)nitrosamine
TL;DR: 3-Carboxypropyl-(2-propenyl)nitrosamine (CAS 86261-23-6) is a chemical compound with molecular formula C=CCN(CCCC(=O)O)N=O and molecular weight 172.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[nitroso(prop-2-enyl)amino]butanoic acid
Also Known As: CPPN, 3-carboxypropyl- nitrosamine, 3-Carboxypropyl-(2-propenyl)nitrosamine, NIOSH/ES5820000, 4-(Allylnitrosoamino)butric acid
| Molecular Formula | C=CCN(CCCC(=O)O)N=O |
|---|---|
| Molecular Weight | 172.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 172.0848 |
| Heavy Atoms | 12 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 86261-23-6 |
|---|---|
| SMILES | C=CCN(CCCC(=O)O)N=O |
| InChIKey | PICOTJKHYPEGGN-UHFFFAOYSA-N |
Product Overview
3-Carboxypropyl-(2-propenyl)nitrosamine (CAS 86261-23-6), with molecular formula C=CCN(CCCC(=O)O)N=O and molecular weight 172.08 g/mol. IUPAC: 4-[nitroso(prop-2-enyl)amino]butanoic acid.
Chemical Property Profile of 3-Carboxypropyl-(2-propenyl)nitrosamine
Property Insights of 3-Carboxypropyl-(2-propenyl)nitrosamine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Carboxypropyl-(2-propenyl)nitrosamine. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Carboxypropyl-(2-propenyl)nitrosamine. Following Lipinski's Rule of Five, 3-Carboxypropyl-(2-propenyl)nitrosamine has 1 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 3-Carboxypropyl-(2-propenyl)nitrosamine?
The CAS number of 3-Carboxypropyl-(2-propenyl)nitrosamine is 86261-23-6.
What is the molecular formula of 3-Carboxypropyl-(2-propenyl)nitrosamine?
The molecular formula of 3-Carboxypropyl-(2-propenyl)nitrosamine is C=CCN(CCCC(=O)O)N=O.
What is the molecular weight of 3-Carboxypropyl-(2-propenyl)nitrosamine?
The molecular weight of 3-Carboxypropyl-(2-propenyl)nitrosamine is 172.08 g/mol.
Where can I buy 3-Carboxypropyl-(2-propenyl)nitrosamine?
You can request a quote for 3-Carboxypropyl-(2-propenyl)nitrosamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Carboxypropyl-(2-propenyl)nitrosamine?
Yes, KEHONG BIO provides custom synthesis services for 3-Carboxypropyl-(2-propenyl)nitrosamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.