1-(Diethylamino)-3-(5-nitro-2-pyrrolidin-1-ylphenoxy)propan-2-ol
TL;DR: 1-(Diethylamino)-3-(5-nitro-2-pyrrolidin-1-ylphenoxy)propan-2-ol (CAS 4953-36-0) is a chemical compound with molecular formula C17H27N3O4 and molecular weight 337.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(diethylamino)-3-(5-nitro-2-pyrrolidin-1-ylphenoxy)propan-2-ol
Also Known As: 1-(diethylamino)-3-(5-nitro-2-pyrrolidin-1-ylphenoxy)propan-2-ol, AB00080324-01, 2-Propanol, 1-(diethylamino)-3-[5-nitro-2-(1-pyrrolidinyl)phenoxy]-, N-[1-(aminomethyl)cycloheptyl]-N,N-dimethylamine, 1-(DIETHYLAMINO)-3-[5-NITRO-2-(PYRROLIDIN-1-YL)PHENOXY]PROPAN-2-OL
| Molecular Formula | C17H27N3O4 |
|---|---|
| Molecular Weight | 337.20 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 337.20016 |
| Heavy Atoms | 24 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 4953-36-0 |
|---|---|
| SMILES | CCN(CC)CC(COC1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC2)O |
| InChIKey | PSPJQQZDQZYLDC-UHFFFAOYSA-N |
Product Overview
1-(Diethylamino)-3-(5-nitro-2-pyrrolidin-1-ylphenoxy)propan-2-ol (CAS 4953-36-0), with molecular formula C17H27N3O4 and molecular weight 337.20 g/mol. IUPAC: 1-(diethylamino)-3-(5-nitro-2-pyrrolidin-1-ylphenoxy)propan-2-ol.
Chemical Property Profile of 1-(Diethylamino)-3-(5-nitro-2-pyrrolidin-1-ylphenoxy)propan-2-ol
Property Insights of 1-(Diethylamino)-3-(5-nitro-2-pyrrolidin-1-ylphenoxy)propan-2-ol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Diethylamino)-3-(5-nitro-2-pyrrolidin-1-ylphenoxy)propan-2-ol. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Diethylamino)-3-(5-nitro-2-pyrrolidin-1-ylphenoxy)propan-2-ol. Following Lipinski's Rule of Five, 1-(Diethylamino)-3-(5-nitro-2-pyrrolidin-1-ylphenoxy)propan-2-ol has 1 hydrogen bond donor(s) and 6 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-(Diethylamino)-3-(5-nitro-2-pyrrolidin-1-ylphenoxy)propan-2-ol?
The CAS number of 1-(Diethylamino)-3-(5-nitro-2-pyrrolidin-1-ylphenoxy)propan-2-ol is 4953-36-0.
What is the molecular formula of 1-(Diethylamino)-3-(5-nitro-2-pyrrolidin-1-ylphenoxy)propan-2-ol?
The molecular formula of 1-(Diethylamino)-3-(5-nitro-2-pyrrolidin-1-ylphenoxy)propan-2-ol is C17H27N3O4.
What is the molecular weight of 1-(Diethylamino)-3-(5-nitro-2-pyrrolidin-1-ylphenoxy)propan-2-ol?
The molecular weight of 1-(Diethylamino)-3-(5-nitro-2-pyrrolidin-1-ylphenoxy)propan-2-ol is 337.20 g/mol.
Where can I buy 1-(Diethylamino)-3-(5-nitro-2-pyrrolidin-1-ylphenoxy)propan-2-ol?
You can request a quote for 1-(Diethylamino)-3-(5-nitro-2-pyrrolidin-1-ylphenoxy)propan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Diethylamino)-3-(5-nitro-2-pyrrolidin-1-ylphenoxy)propan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(Diethylamino)-3-(5-nitro-2-pyrrolidin-1-ylphenoxy)propan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.