Einecs 239-376-8
TL;DR: Einecs 239-376-8 (CAS 15341-08-9) is a chemical compound with molecular formula C8H7NO5 and molecular weight 197.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-nitro-1,3-benzodioxol-4-yl)methanol
Also Known As: 6-Nitropiperonyl alcohol, KST-1A1721, (5-nitro-1,3-benzodioxol-4-yl)methanol
| Molecular Formula | C8H7NO5 |
|---|---|
| Molecular Weight | 197.03 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 197.03242 |
| Heavy Atoms | 14 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 15341-08-9 |
|---|---|
| SMILES | C1OC2=C(O1)C(=C(C=C2)[N+](=O)[O-])CO |
| InChIKey | LJXBRPHBDWIHPR-UHFFFAOYSA-N |
Product Overview
Einecs 239-376-8 (CAS 15341-08-9), with molecular formula C8H7NO5 and molecular weight 197.03 g/mol. IUPAC: (5-nitro-1,3-benzodioxol-4-yl)methanol.
Chemical Property Profile of Einecs 239-376-8
Property Insights of Einecs 239-376-8
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Einecs 239-376-8. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 239-376-8. Following Lipinski's Rule of Five, Einecs 239-376-8 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 Einecs 239-376-8?
The CAS number of Einecs 239-376-8 is 15341-08-9.
What is the molecular formula of Einecs 239-376-8?
The molecular formula of Einecs 239-376-8 is C8H7NO5.
What is the molecular weight of Einecs 239-376-8?
The molecular weight of Einecs 239-376-8 is 197.03 g/mol.
Where can I buy Einecs 239-376-8?
You can request a quote for Einecs 239-376-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 239-376-8?
Yes, KEHONG BIO provides custom synthesis services for Einecs 239-376-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.