RefChem:1091072
TL;DR: RefChem:1091072 (CAS 36371-25-2) is a chemical compound with molecular formula C18H31N5O5 and molecular weight 397.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methylphenyl)-1,4-dipropylpiperazine-2-carboxamide;nitrous acid
Also Known As: 2-Piperazinecarboxanilide, 1,4-dipropyl-2'-methyl-, dinitrate, 2-Piperazinecarboxamide, N-(2-methylphenyl)-1,4-dipropyl-, dinitrate, N-(2-Methylphenyl)-1,4-dipropylpiperazine-2-carboximidic acid--nitrous acid (1/2), N-(2-methylphenyl)-1,4-dipropylpiperazine-2-carboxamide; nitrous acid, RefChem:1091072
| Molecular Formula | C18H31N5O5 |
|---|---|
| Molecular Weight | 397.23 g/mol |
| LogP | 3.02 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.2325 |
| Heavy Atoms | 28 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 36371-25-2 |
|---|---|
| SMILES | CCCN1CCN(C(C1)C(=O)NC2=CC=CC=C2C)CCC.N(=O)O.N(=O)O |
| InChIKey | PHKGDSCTROXFQC-UHFFFAOYSA-N |
Product Overview
RefChem:1091072 (CAS 36371-25-2), with molecular formula C18H31N5O5 and molecular weight 397.23 g/mol. IUPAC: N-(2-methylphenyl)-1,4-dipropylpiperazine-2-carboxamide;nitrous acid.
Chemical Property Profile of RefChem:1091072
Property Insights of RefChem:1091072
The XLogP value of 3.02 indicates that RefChem:1091072 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1091072. Following Lipinski's Rule of Five, RefChem:1091072 has 3 hydrogen bond donor(s) and 9 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 RefChem:1091072?
The CAS number of RefChem:1091072 is 36371-25-2.
What is the molecular formula of RefChem:1091072?
The molecular formula of RefChem:1091072 is C18H31N5O5.
What is the molecular weight of RefChem:1091072?
The molecular weight of RefChem:1091072 is 397.23 g/mol.
Where can I buy RefChem:1091072?
You can request a quote for RefChem:1091072 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1091072?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1091072 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.