异卡波肼
TL;DR: 异卡波肼 (CAS 59-63-2) is a chemical compound with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异卡波肼
N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide
Also Known As: isocarboxazid, Isocarboxazide, Enerzer, Marplan, Isocarbonazid
| Molecular Formula | C12H13N3O2 |
|---|---|
| Molecular Weight | 231.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.10077 |
| Heavy Atoms | 17 |
| Complexity | 254.0 |
| Melting Point | 105-106 °C |
| Boiling Point | 394.5ºC at 760 mmHg |
| Solubility | Very slightly soluble in hot water |
Chemical Identifiers
| CAS Number | 59-63-2 |
|---|---|
| SMILES | CC1=CC(=NO1)C(=O)NNCC2=CC=CC=C2 |
| InChIKey | XKFPYPQQHFEXRZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异卡波肼 (CAS 59-63-2), with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol. IUPAC: N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide.
Chemical Property Profile of 异卡波肼
Property Insights of 异卡波肼
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异卡波肼. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 异卡波肼. Following Lipinski's Rule of Five, 异卡波肼 has 2 hydrogen bond donor(s) and 4 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 异卡波肼?
The CAS number of 异卡波肼 is 59-63-2.
What is the molecular formula of 异卡波肼?
The molecular formula of 异卡波肼 is C12H13N3O2.
What is the molecular weight of 异卡波肼?
The molecular weight of 异卡波肼 is 231.10 g/mol.
Where can I buy 异卡波肼?
You can request a quote for 异卡波肼 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异卡波肼?
Yes, KEHONG BIO provides custom synthesis services for 异卡波肼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.