1,2-Benzenediol, 4-(1-propyl-3-pyrrolidinyl)-
TL;DR: 1,2-Benzenediol, 4-(1-propyl-3-pyrrolidinyl)- (CAS 94357-81-0) is a chemical compound with molecular formula C13H19NO2 and molecular weight 221.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-propylpyrrolidin-3-yl)benzene-1,2-diol
Also Known As: 4-(1-propylpyrrolidin-3-yl)benzene-1,2-diol, 1,2-Benzenediol, 4-(1-propyl-3-pyrrolidinyl)-
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 43.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 94357-81-0 |
|---|---|
| SMILES | CCCN1CCC(C1)C2=CC(=C(C=C2)O)O |
| InChIKey | BQPLSMZHGSFVSL-UHFFFAOYSA-N |
Product Overview
1,2-Benzenediol, 4-(1-propyl-3-pyrrolidinyl)- (CAS 94357-81-0), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: 4-(1-propylpyrrolidin-3-yl)benzene-1,2-diol.
Chemical Property Profile of 1,2-Benzenediol, 4-(1-propyl-3-pyrrolidinyl)-
Property Insights of 1,2-Benzenediol, 4-(1-propyl-3-pyrrolidinyl)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzenediol, 4-(1-propyl-3-pyrrolidinyl)-. With a topological polar surface area (TPSA) of 43.7 Ų, 1,2-Benzenediol, 4-(1-propyl-3-pyrrolidinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzenediol, 4-(1-propyl-3-pyrrolidinyl)- has 2 hydrogen bond donor(s) and 3 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 1,2-Benzenediol, 4-(1-propyl-3-pyrrolidinyl)-?
The CAS number of 1,2-Benzenediol, 4-(1-propyl-3-pyrrolidinyl)- is 94357-81-0.
What is the molecular formula of 1,2-Benzenediol, 4-(1-propyl-3-pyrrolidinyl)-?
The molecular formula of 1,2-Benzenediol, 4-(1-propyl-3-pyrrolidinyl)- is C13H19NO2.
What is the molecular weight of 1,2-Benzenediol, 4-(1-propyl-3-pyrrolidinyl)-?
The molecular weight of 1,2-Benzenediol, 4-(1-propyl-3-pyrrolidinyl)- is 221.14 g/mol.
Where can I buy 1,2-Benzenediol, 4-(1-propyl-3-pyrrolidinyl)-?
You can request a quote for 1,2-Benzenediol, 4-(1-propyl-3-pyrrolidinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenediol, 4-(1-propyl-3-pyrrolidinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenediol, 4-(1-propyl-3-pyrrolidinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.