3-Butenyl-(3-hydroxypropyl)nitrosamine
TL;DR: 3-Butenyl-(3-hydroxypropyl)nitrosamine (CAS 6276-71-7) is a chemical compound with molecular formula C=CCCN(CCCO)N=O and molecular weight 158.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-but-3-enyl-N-(3-hydroxypropyl)nitrous amide
Also Known As: BHPN, 3-Butenyl-(3-hydroxypropyl)nitrosamine, 3-(3-Butenylnitrosamino)-1-propanol, N-but-3-enyl-N-(3-hydroxypropyl)nitrous amide, 1-Propanol, 3-(3-butenylnitrosoamino)-
| Molecular Formula | C=CCCN(CCCO)N=O |
|---|---|
| Molecular Weight | 158.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 158.10553 |
| Heavy Atoms | 11 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 6276-71-7 |
|---|---|
| SMILES | C=CCCN(CCCO)N=O |
| InChIKey | WPMAZWQMHMPBSL-UHFFFAOYSA-N |
Product Overview
3-Butenyl-(3-hydroxypropyl)nitrosamine (CAS 6276-71-7), with molecular formula C=CCCN(CCCO)N=O and molecular weight 158.11 g/mol. IUPAC: N-but-3-enyl-N-(3-hydroxypropyl)nitrous amide.
Chemical Property Profile of 3-Butenyl-(3-hydroxypropyl)nitrosamine
Property Insights of 3-Butenyl-(3-hydroxypropyl)nitrosamine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butenyl-(3-hydroxypropyl)nitrosamine. With a topological polar surface area (TPSA) of 52.9 Ų, 3-Butenyl-(3-hydroxypropyl)nitrosamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butenyl-(3-hydroxypropyl)nitrosamine has 1 hydrogen bond donor(s) and 4 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-Butenyl-(3-hydroxypropyl)nitrosamine?
The CAS number of 3-Butenyl-(3-hydroxypropyl)nitrosamine is 6276-71-7.
What is the molecular formula of 3-Butenyl-(3-hydroxypropyl)nitrosamine?
The molecular formula of 3-Butenyl-(3-hydroxypropyl)nitrosamine is C=CCCN(CCCO)N=O.
What is the molecular weight of 3-Butenyl-(3-hydroxypropyl)nitrosamine?
The molecular weight of 3-Butenyl-(3-hydroxypropyl)nitrosamine is 158.11 g/mol.
Where can I buy 3-Butenyl-(3-hydroxypropyl)nitrosamine?
You can request a quote for 3-Butenyl-(3-hydroxypropyl)nitrosamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butenyl-(3-hydroxypropyl)nitrosamine?
Yes, KEHONG BIO provides custom synthesis services for 3-Butenyl-(3-hydroxypropyl)nitrosamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.