磷酸异丙烟肼
TL;DR: 磷酸异丙烟肼 (CAS 305-33-9) is a chemical compound with molecular formula C9H16N3O5P and molecular weight 277.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
磷酸异丙烟肼
phosphoric acid;N'-propan-2-ylpyridine-4-carbohydrazide
Also Known As: Iproniazid phosphate, Iproniazide phosphate, Marsilid phosphate, Isoproniazid phosphate, Iproniazid (phosphate)
| Molecular Formula | C9H16N3O5P |
|---|---|
| Molecular Weight | 277.08 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.08276 |
| Heavy Atoms | 18 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 305-33-9 |
|---|---|
| SMILES | CC(C)NNC(=O)C1=CC=NC=C1.OP(=O)(O)O |
| InChIKey | YPDVTKJXVHYWFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
磷酸异丙烟肼 (CAS 305-33-9), with molecular formula C9H16N3O5P and molecular weight 277.08 g/mol. IUPAC: phosphoric acid;N'-propan-2-ylpyridine-4-carbohydrazide.
Chemical Property Profile of 磷酸异丙烟肼
Property Insights of 磷酸异丙烟肼
The XLogP value of -0.2 indicates that 磷酸异丙烟肼 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 磷酸异丙烟肼. Following Lipinski's Rule of Five, 磷酸异丙烟肼 has 5 hydrogen bond donor(s) and 7 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 磷酸异丙烟肼?
The CAS number of 磷酸异丙烟肼 is 305-33-9.
What is the molecular formula of 磷酸异丙烟肼?
The molecular formula of 磷酸异丙烟肼 is C9H16N3O5P.
What is the molecular weight of 磷酸异丙烟肼?
The molecular weight of 磷酸异丙烟肼 is 277.08 g/mol.
Where can I buy 磷酸异丙烟肼?
You can request a quote for 磷酸异丙烟肼 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 磷酸异丙烟肼?
Yes, KEHONG BIO provides custom synthesis services for 磷酸异丙烟肼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.