异烟酸2-(间磺基苄叉)酰肼
TL;DR: 异烟酸2-(间磺基苄叉)酰肼 (CAS 3691-81-4) is a chemical compound with molecular formula C13H11N3O4S and molecular weight 305.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异烟酸2-(间磺基苄叉)酰肼
3-[(pyridine-4-carbonylhydrazinylidene)methyl]benzenesulfonic acid
Also Known As: Isonicotinicacid2- hydrazide, NCIOpen2_009348, Isonicotinic acid 2-(m-sulfobenzylidene) hydrazide, 3-[(pyridine-4-carbonylhydrazinylidene)methyl]benzenesulfonic acid
| Molecular Formula | C13H11N3O4S |
|---|---|
| Molecular Weight | 305.05 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.04703 |
| Heavy Atoms | 21 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 3691-81-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)O)C=NNC(=O)C2=CC=NC=C2 |
| InChIKey | PNWDBDXZYGISDO-UHFFFAOYSA-N |
Product Overview
异烟酸2-(间磺基苄叉)酰肼 (CAS 3691-81-4), with molecular formula C13H11N3O4S and molecular weight 305.05 g/mol. IUPAC: 3-[(pyridine-4-carbonylhydrazinylidene)methyl]benzenesulfonic acid.
Chemical Property Profile of 异烟酸2-(间磺基苄叉)酰肼
Property Insights of 异烟酸2-(间磺基苄叉)酰肼
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异烟酸2-(间磺基苄叉)酰肼. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 异烟酸2-(间磺基苄叉)酰肼. Following Lipinski's Rule of Five, 异烟酸2-(间磺基苄叉)酰肼 has 2 hydrogen bond donor(s) and 6 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 异烟酸2-(间磺基苄叉)酰肼?
The CAS number of 异烟酸2-(间磺基苄叉)酰肼 is 3691-81-4.
What is the molecular formula of 异烟酸2-(间磺基苄叉)酰肼?
The molecular formula of 异烟酸2-(间磺基苄叉)酰肼 is C13H11N3O4S.
What is the molecular weight of 异烟酸2-(间磺基苄叉)酰肼?
The molecular weight of 异烟酸2-(间磺基苄叉)酰肼 is 305.05 g/mol.
Where can I buy 异烟酸2-(间磺基苄叉)酰肼?
You can request a quote for 异烟酸2-(间磺基苄叉)酰肼 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异烟酸2-(间磺基苄叉)酰肼?
Yes, KEHONG BIO provides custom synthesis services for 异烟酸2-(间磺基苄叉)酰肼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.