1-Naphthaleneacetonitrile, alpha-isopropyl-alpha-(3-pyrrolidinopropyl)-
TL;DR: 1-Naphthaleneacetonitrile, alpha-isopropyl-alpha-(3-pyrrolidinopropyl)- (CAS 6699-12-3) is a chemical compound with molecular formula C22H28N2 and molecular weight 320.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-naphthalen-1-yl-2-propan-2-yl-5-pyrrolidin-1-ylpentanenitrile
Also Known As: 1-Pyrrolidinevaleronitrile, alpha-isopropyl-alpha-1-naphthyl-, 2-naphthalen-1-yl-2-propan-2-yl-5-pyrrolidin-1-ylpentanenitrile, 1-NAPHTHALENEACETONITRILE, alpha-ISOPROPYL-alpha-(3-PYRROLIDINOPROPYL)-, alpha-Isopropyl-alpha-(3-pyrrolidinopropyl)-1-naphthaleneacetonitrile, 2-(Naphthalen-1-yl)-2-(propan-2-yl)-5-(pyrrolidin-1-yl)pentanenitrile
| Molecular Formula | C22H28N2 |
|---|---|
| Molecular Weight | 320.23 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 320.22525 |
| Heavy Atoms | 24 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 6699-12-3 |
|---|---|
| SMILES | CC(C)C(CCCN1CCCC1)(C#N)C2=CC=CC3=CC=CC=C32 |
| InChIKey | SVZYYHKYXSDMQX-UHFFFAOYSA-N |
Product Overview
1-Naphthaleneacetonitrile, alpha-isopropyl-alpha-(3-pyrrolidinopropyl)- (CAS 6699-12-3), with molecular formula C22H28N2 and molecular weight 320.23 g/mol. IUPAC: 2-naphthalen-1-yl-2-propan-2-yl-5-pyrrolidin-1-ylpentanenitrile.
Chemical Property Profile of 1-Naphthaleneacetonitrile, alpha-isopropyl-alpha-(3-pyrrolidinopropyl)-
Property Insights of 1-Naphthaleneacetonitrile, alpha-isopropyl-alpha-(3-pyrrolidinopropyl)-
The XLogP value of 5.3 indicates that 1-Naphthaleneacetonitrile, alpha-isopropyl-alpha-(3-pyrrolidinopropyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.0 Ų, 1-Naphthaleneacetonitrile, alpha-isopropyl-alpha-(3-pyrrolidinopropyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Naphthaleneacetonitrile, alpha-isopropyl-alpha-(3-pyrrolidinopropyl)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Naphthaleneacetonitrile, alpha-isopropyl-alpha-(3-pyrrolidinopropyl)-?
The CAS number of 1-Naphthaleneacetonitrile, alpha-isopropyl-alpha-(3-pyrrolidinopropyl)- is 6699-12-3.
What is the molecular formula of 1-Naphthaleneacetonitrile, alpha-isopropyl-alpha-(3-pyrrolidinopropyl)-?
The molecular formula of 1-Naphthaleneacetonitrile, alpha-isopropyl-alpha-(3-pyrrolidinopropyl)- is C22H28N2.
What is the molecular weight of 1-Naphthaleneacetonitrile, alpha-isopropyl-alpha-(3-pyrrolidinopropyl)-?
The molecular weight of 1-Naphthaleneacetonitrile, alpha-isopropyl-alpha-(3-pyrrolidinopropyl)- is 320.23 g/mol.
Where can I buy 1-Naphthaleneacetonitrile, alpha-isopropyl-alpha-(3-pyrrolidinopropyl)-?
You can request a quote for 1-Naphthaleneacetonitrile, alpha-isopropyl-alpha-(3-pyrrolidinopropyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Naphthaleneacetonitrile, alpha-isopropyl-alpha-(3-pyrrolidinopropyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Naphthaleneacetonitrile, alpha-isopropyl-alpha-(3-pyrrolidinopropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.