4-硝基苄基硒代硫酸
TL;DR: 4-硝基苄基硒代硫酸 (CAS 87399-97-1) is a chemical compound with molecular formula C7H7NO5SSe and molecular weight 296.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-硝基苄基硒代硫酸
1-nitro-4-(sulfoselanylmethyl)benzene
Also Known As: NBZSS, 4-Nitrobenzyl selenosulfuric acid, 4-nitrobenzylselenosulfuricacid, 1-nitro-4-(sulfoselanylmethyl)benzene, Potassium p-nitrobenzyl selenosulfuric acid
| Molecular Formula | C7H7NO5SSe |
|---|---|
| Molecular Weight | 296.92 g/mol |
| LogP | 0.6018 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.92102 |
| Heavy Atoms | 15 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 87399-97-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C[Se]S(=O)(=O)O)[N+](=O)[O-] |
| InChIKey | CFFTVEHQPVBZDP-UHFFFAOYSA-N |
Product Overview
4-硝基苄基硒代硫酸 (CAS 87399-97-1), with molecular formula C7H7NO5SSe and molecular weight 296.92 g/mol. IUPAC: 1-nitro-4-(sulfoselanylmethyl)benzene.
Chemical Property Profile of 4-硝基苄基硒代硫酸
Property Insights of 4-硝基苄基硒代硫酸
The XLogP value of 0.6018 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-硝基苄基硒代硫酸. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-硝基苄基硒代硫酸. Following Lipinski's Rule of Five, 4-硝基苄基硒代硫酸 has 1 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 4-硝基苄基硒代硫酸?
The CAS number of 4-硝基苄基硒代硫酸 is 87399-97-1.
What is the molecular formula of 4-硝基苄基硒代硫酸?
The molecular formula of 4-硝基苄基硒代硫酸 is C7H7NO5SSe.
What is the molecular weight of 4-硝基苄基硒代硫酸?
The molecular weight of 4-硝基苄基硒代硫酸 is 296.92 g/mol.
Where can I buy 4-硝基苄基硒代硫酸?
You can request a quote for 4-硝基苄基硒代硫酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-硝基苄基硒代硫酸?
Yes, KEHONG BIO provides custom synthesis services for 4-硝基苄基硒代硫酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.