1,2,4-苯并三嗪-3-甲酰肼
TL;DR: 1,2,4-苯并三嗪-3-甲酰肼 (CAS 98555-24-9) is a chemical compound with molecular formula C8H7N5O and molecular weight 189.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4-苯并三嗪-3-甲酰肼
1,2,4-benzotriazine-3-carbohydrazide
Also Known As: 1,2,4-benzotriazine-3-carbohydrazide, 1,2,4-BENZOTRIAZINE-3-CARBOXYLIC ACID, HYDRAZIDE, 4-26-00-00949 (Beilstein Handbook Reference), BRN 0170981, RefChem:214906
| Molecular Formula | C8H7N5O |
|---|---|
| Molecular Weight | 189.07 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 93.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.06506 |
| Heavy Atoms | 14 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 98555-24-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(N=N2)C(=O)NN |
| InChIKey | MBVVFKFDUCBPQV-UHFFFAOYSA-N |
Product Overview
1,2,4-苯并三嗪-3-甲酰肼 (CAS 98555-24-9), with molecular formula C8H7N5O and molecular weight 189.07 g/mol. IUPAC: 1,2,4-benzotriazine-3-carbohydrazide.
Chemical Property Profile of 1,2,4-苯并三嗪-3-甲酰肼
Property Insights of 1,2,4-苯并三嗪-3-甲酰肼
The XLogP value of -0.5 indicates that 1,2,4-苯并三嗪-3-甲酰肼 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-苯并三嗪-3-甲酰肼. Following Lipinski's Rule of Five, 1,2,4-苯并三嗪-3-甲酰肼 has 2 hydrogen bond donor(s) and 5 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 1,2,4-苯并三嗪-3-甲酰肼?
The CAS number of 1,2,4-苯并三嗪-3-甲酰肼 is 98555-24-9.
What is the molecular formula of 1,2,4-苯并三嗪-3-甲酰肼?
The molecular formula of 1,2,4-苯并三嗪-3-甲酰肼 is C8H7N5O.
What is the molecular weight of 1,2,4-苯并三嗪-3-甲酰肼?
The molecular weight of 1,2,4-苯并三嗪-3-甲酰肼 is 189.07 g/mol.
Where can I buy 1,2,4-苯并三嗪-3-甲酰肼?
You can request a quote for 1,2,4-苯并三嗪-3-甲酰肼 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-苯并三嗪-3-甲酰肼?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-苯并三嗪-3-甲酰肼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.