2-(2-Hydroxyphenyl)-4-(3-(1-pyrrolidinyl)propyl)-4H-1,3,4-oxadiazin-5(6H)-one
TL;DR: 2-(2-Hydroxyphenyl)-4-(3-(1-pyrrolidinyl)propyl)-4H-1,3,4-oxadiazin-5(6H)-one (CAS 53995-45-2) is a chemical compound with molecular formula C16H21N3O3 and molecular weight 303.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-hydroxyphenyl)-4-(3-pyrrolidin-1-ylpropyl)-1,3,4-oxadiazin-5-one
Also Known As: NCIStruc1_001684, NCIStruc2_001519, NCI60_002483, 2-(2-Hydroxyphenyl)-4-(3-(1-pyrrolidinyl)propyl)-4H-1,3,4-oxadiazin-5(6H)-one, 2-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-(3-pyrrolidin-1-ylpropyl)-1,3,4-oxadiazinan-5-one
| Molecular Formula | C16H21N3O3 |
|---|---|
| Molecular Weight | 303.16 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 65.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.1583 |
| Heavy Atoms | 22 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 53995-45-2 |
|---|---|
| SMILES | C1CCN(C1)CCCN2C(=O)COC(=N2)C3=CC=CC=C3O |
| InChIKey | IZZNABZGGIDDSD-UHFFFAOYSA-N |
Product Overview
2-(2-Hydroxyphenyl)-4-(3-(1-pyrrolidinyl)propyl)-4H-1,3,4-oxadiazin-5(6H)-one (CAS 53995-45-2), with molecular formula C16H21N3O3 and molecular weight 303.16 g/mol. IUPAC: 2-(2-hydroxyphenyl)-4-(3-pyrrolidin-1-ylpropyl)-1,3,4-oxadiazin-5-one.
Chemical Property Profile of 2-(2-Hydroxyphenyl)-4-(3-(1-pyrrolidinyl)propyl)-4H-1,3,4-oxadiazin-5(6H)-one
Property Insights of 2-(2-Hydroxyphenyl)-4-(3-(1-pyrrolidinyl)propyl)-4H-1,3,4-oxadiazin-5(6H)-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Hydroxyphenyl)-4-(3-(1-pyrrolidinyl)propyl)-4H-1,3,4-oxadiazin-5(6H)-one. The TPSA of 65.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Hydroxyphenyl)-4-(3-(1-pyrrolidinyl)propyl)-4H-1,3,4-oxadiazin-5(6H)-one. Following Lipinski's Rule of Five, 2-(2-Hydroxyphenyl)-4-(3-(1-pyrrolidinyl)propyl)-4H-1,3,4-oxadiazin-5(6H)-one has 1 hydrogen bond donor(s) and 5 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 2-(2-Hydroxyphenyl)-4-(3-(1-pyrrolidinyl)propyl)-4H-1,3,4-oxadiazin-5(6H)-one?
The CAS number of 2-(2-Hydroxyphenyl)-4-(3-(1-pyrrolidinyl)propyl)-4H-1,3,4-oxadiazin-5(6H)-one is 53995-45-2.
What is the molecular formula of 2-(2-Hydroxyphenyl)-4-(3-(1-pyrrolidinyl)propyl)-4H-1,3,4-oxadiazin-5(6H)-one?
The molecular formula of 2-(2-Hydroxyphenyl)-4-(3-(1-pyrrolidinyl)propyl)-4H-1,3,4-oxadiazin-5(6H)-one is C16H21N3O3.
What is the molecular weight of 2-(2-Hydroxyphenyl)-4-(3-(1-pyrrolidinyl)propyl)-4H-1,3,4-oxadiazin-5(6H)-one?
The molecular weight of 2-(2-Hydroxyphenyl)-4-(3-(1-pyrrolidinyl)propyl)-4H-1,3,4-oxadiazin-5(6H)-one is 303.16 g/mol.
Where can I buy 2-(2-Hydroxyphenyl)-4-(3-(1-pyrrolidinyl)propyl)-4H-1,3,4-oxadiazin-5(6H)-one?
You can request a quote for 2-(2-Hydroxyphenyl)-4-(3-(1-pyrrolidinyl)propyl)-4H-1,3,4-oxadiazin-5(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Hydroxyphenyl)-4-(3-(1-pyrrolidinyl)propyl)-4H-1,3,4-oxadiazin-5(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Hydroxyphenyl)-4-(3-(1-pyrrolidinyl)propyl)-4H-1,3,4-oxadiazin-5(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.