1-Isonicotinoylsemicarbazide
TL;DR: 1-Isonicotinoylsemicarbazide (CAS 2845-81-0) is a chemical compound with molecular formula C7H8N4O2 and molecular weight 180.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(pyridine-4-carbonylamino)urea
Also Known As: 1-Isonicotinoylsemicarbazide, N-(isonicotinoamido)urea, 1-isonicotinoyl semicarbazide, isonicotinic acid semicarbazide, (pyridine-4-carbonylamino)urea
| Molecular Formula | C7H8N4O2 |
|---|---|
| Molecular Weight | 180.06 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 97.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.06473 |
| Heavy Atoms | 13 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 2845-81-0 |
|---|---|
| SMILES | C1=CN=CC=C1C(=O)NNC(=O)N |
| InChIKey | RXNSCGZBLRNHOK-UHFFFAOYSA-N |
Product Overview
1-Isonicotinoylsemicarbazide (CAS 2845-81-0), with molecular formula C7H8N4O2 and molecular weight 180.06 g/mol. IUPAC: (pyridine-4-carbonylamino)urea.
Chemical Property Profile of 1-Isonicotinoylsemicarbazide
Property Insights of 1-Isonicotinoylsemicarbazide
The XLogP value of -1.6 indicates that 1-Isonicotinoylsemicarbazide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 97.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Isonicotinoylsemicarbazide. Following Lipinski's Rule of Five, 1-Isonicotinoylsemicarbazide has 3 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 1-Isonicotinoylsemicarbazide?
The CAS number of 1-Isonicotinoylsemicarbazide is 2845-81-0.
What is the molecular formula of 1-Isonicotinoylsemicarbazide?
The molecular formula of 1-Isonicotinoylsemicarbazide is C7H8N4O2.
What is the molecular weight of 1-Isonicotinoylsemicarbazide?
The molecular weight of 1-Isonicotinoylsemicarbazide is 180.06 g/mol.
Where can I buy 1-Isonicotinoylsemicarbazide?
You can request a quote for 1-Isonicotinoylsemicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Isonicotinoylsemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 1-Isonicotinoylsemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.