3,3-dimethyl-2-phenyl-1-pyrrolin-5-ol
TL;DR: 3,3-dimethyl-2-phenyl-1-pyrrolin-5-ol (CAS 85826-52-4) is a chemical compound with molecular formula C12H15NO and molecular weight 189.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-5-phenyl-2,3-dihydropyrrol-2-ol
Also Known As: 3,3-dimethyl-2-phenyl-1-pyrrolin-5-ol, 4,4-dimethyl-5-phenyl-2,3-dihydropyrrol-2-ol, 2-Phenyl-3,3-dimethyl-1-pyrroline-5-ol, J3.609.958E, 4,4-dimethyl-5-phenyl-3,4-dihydro-2H-pyrrol-2-ol
| Molecular Formula | C12H15NO |
|---|---|
| Molecular Weight | 189.12 g/mol |
| LogP | 2.224 |
| Topological Polar Surface Area | 32.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.11537 |
| Heavy Atoms | 14 |
| Complexity | 353.8443 |
Chemical Identifiers
| CAS Number | 85826-52-4 |
|---|---|
| SMILES | CC1(CC(N=C1C2=CC=CC=C2)O)C |
Product Overview
3,3-dimethyl-2-phenyl-1-pyrrolin-5-ol (CAS 85826-52-4), with molecular formula C12H15NO and molecular weight 189.12 g/mol. IUPAC: 4,4-dimethyl-5-phenyl-2,3-dihydropyrrol-2-ol.
Chemical Property Profile of 3,3-dimethyl-2-phenyl-1-pyrrolin-5-ol
Property Insights of 3,3-dimethyl-2-phenyl-1-pyrrolin-5-ol
The XLogP value of 2.224 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-dimethyl-2-phenyl-1-pyrrolin-5-ol. With a topological polar surface area (TPSA) of 32.59 Ų, 3,3-dimethyl-2-phenyl-1-pyrrolin-5-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-dimethyl-2-phenyl-1-pyrrolin-5-ol 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 3,3-dimethyl-2-phenyl-1-pyrrolin-5-ol?
The CAS number of 3,3-dimethyl-2-phenyl-1-pyrrolin-5-ol is 85826-52-4.
What is the molecular formula of 3,3-dimethyl-2-phenyl-1-pyrrolin-5-ol?
The molecular formula of 3,3-dimethyl-2-phenyl-1-pyrrolin-5-ol is C12H15NO.
What is the molecular weight of 3,3-dimethyl-2-phenyl-1-pyrrolin-5-ol?
The molecular weight of 3,3-dimethyl-2-phenyl-1-pyrrolin-5-ol is 189.12 g/mol.
Where can I buy 3,3-dimethyl-2-phenyl-1-pyrrolin-5-ol?
You can request a quote for 3,3-dimethyl-2-phenyl-1-pyrrolin-5-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-dimethyl-2-phenyl-1-pyrrolin-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 3,3-dimethyl-2-phenyl-1-pyrrolin-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.