(Z)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid
TL;DR: (Z)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid (CAS 6315-90-8) is a chemical compound with molecular formula C10H7NO6 and molecular weight 237.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid
Also Known As: (Z)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid
| Molecular Formula | C10H7NO6 |
|---|---|
| Molecular Weight | 237.03 g/mol |
| LogP | 1.4213 |
| Topological Polar Surface Area | 98.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.02734 |
| Heavy Atoms | 17 |
| Complexity | 521.7726 |
Chemical Identifiers
| CAS Number | 6315-90-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)/C=C\C(=O)O)[N+](=O)[O-] |
Product Overview
(Z)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid (CAS 6315-90-8), with molecular formula C10H7NO6 and molecular weight 237.03 g/mol. IUPAC: (Z)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid.
Chemical Property Profile of (Z)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid
Property Insights of (Z)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid
The XLogP value of 1.4213 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid. The TPSA of 98.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid. Following Lipinski's Rule of Five, (Z)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid 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 (Z)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid?
The CAS number of (Z)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid is 6315-90-8.
What is the molecular formula of (Z)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid?
The molecular formula of (Z)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid is C10H7NO6.
What is the molecular weight of (Z)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid?
The molecular weight of (Z)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid is 237.03 g/mol.
Where can I buy (Z)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid?
You can request a quote for (Z)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.