异丙烟肼
TL;DR: 异丙烟肼 (CAS 54-92-2) is a chemical compound with molecular formula C9H13N3O and molecular weight 179.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异丙烟肼
N'-propan-2-ylpyridine-4-carbohydrazide
Also Known As: iproniazid, Iprazid, Iproniazide, Marsilid, Euphozid
| Molecular Formula | C9H13N3O |
|---|---|
| Molecular Weight | 179.11 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.10587 |
| Heavy Atoms | 13 |
| Complexity | 164.0 |
| Melting Point | 161-161.5 |
Chemical Identifiers
| CAS Number | 54-92-2 |
|---|---|
| SMILES | CC(C)NNC(=O)C1=CC=NC=C1 |
| InChIKey | NYMGNSNKLVNMIA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异丙烟肼 (CAS 54-92-2), with molecular formula C9H13N3O and molecular weight 179.11 g/mol. IUPAC: N'-propan-2-ylpyridine-4-carbohydrazide.
Chemical Property Profile of 异丙烟肼
Property Insights of 异丙烟肼
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异丙烟肼. With a topological polar surface area (TPSA) of 54.0 Ų, 异丙烟肼 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异丙烟肼 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 异丙烟肼?
The CAS number of 异丙烟肼 is 54-92-2.
What is the molecular formula of 异丙烟肼?
The molecular formula of 异丙烟肼 is C9H13N3O.
What is the molecular weight of 异丙烟肼?
The molecular weight of 异丙烟肼 is 179.11 g/mol.
Where can I buy 异丙烟肼?
You can request a quote for 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 异丙烟肼?
Yes, KEHONG BIO provides custom synthesis services for 异丙烟肼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.