Phenol, m-(1-methyl-3-neopentyl-3-pyrrolidinyl)-
TL;DR: Phenol, m-(1-methyl-3-neopentyl-3-pyrrolidinyl)- (CAS 36894-63-0) is a chemical compound with molecular formula C16H25NO and molecular weight 247.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]phenol
Also Known As: starbld0028873, 3-[3-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]phenol, Phenol, m-(1-methyl-3-neopentyl-3-pyrrolidinyl)-, m-(1-Methyl-3-neopentyl-3-pyrrolidinyl)phenol, 3-[3-1-methyl-3-pyrrolidinyl]phenol
| Molecular Formula | C16H25NO |
|---|---|
| Molecular Weight | 247.19 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.19362 |
| Heavy Atoms | 18 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 36894-63-0 |
|---|---|
| SMILES | CC(C)(C)CC1(CCN(C1)C)C2=CC(=CC=C2)O |
| InChIKey | KKDBMZZXJQGCGF-UHFFFAOYSA-N |
Product Overview
Phenol, m-(1-methyl-3-neopentyl-3-pyrrolidinyl)- (CAS 36894-63-0), with molecular formula C16H25NO and molecular weight 247.19 g/mol. IUPAC: 3-[3-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]phenol.
Chemical Property Profile of Phenol, m-(1-methyl-3-neopentyl-3-pyrrolidinyl)-
Property Insights of Phenol, m-(1-methyl-3-neopentyl-3-pyrrolidinyl)-
The XLogP value of 3.9 indicates that Phenol, m-(1-methyl-3-neopentyl-3-pyrrolidinyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, Phenol, m-(1-methyl-3-neopentyl-3-pyrrolidinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, m-(1-methyl-3-neopentyl-3-pyrrolidinyl)- has 1 hydrogen bond donor(s) and 2 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 Phenol, m-(1-methyl-3-neopentyl-3-pyrrolidinyl)-?
The CAS number of Phenol, m-(1-methyl-3-neopentyl-3-pyrrolidinyl)- is 36894-63-0.
What is the molecular formula of Phenol, m-(1-methyl-3-neopentyl-3-pyrrolidinyl)-?
The molecular formula of Phenol, m-(1-methyl-3-neopentyl-3-pyrrolidinyl)- is C16H25NO.
What is the molecular weight of Phenol, m-(1-methyl-3-neopentyl-3-pyrrolidinyl)-?
The molecular weight of Phenol, m-(1-methyl-3-neopentyl-3-pyrrolidinyl)- is 247.19 g/mol.
Where can I buy Phenol, m-(1-methyl-3-neopentyl-3-pyrrolidinyl)-?
You can request a quote for Phenol, m-(1-methyl-3-neopentyl-3-pyrrolidinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, m-(1-methyl-3-neopentyl-3-pyrrolidinyl)-?
Yes, KEHONG BIO provides custom synthesis services for Phenol, m-(1-methyl-3-neopentyl-3-pyrrolidinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.