(E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid 4-nitrooxybutyl ester
TL;DR: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid 4-nitrooxybutyl ester (CAS 475561-36-5) is a chemical compound with molecular formula C14H17NO7 and molecular weight 311.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitrooxybutyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Also Known As: J2.042.298J, J3.005.605A, 4-(nitrooxy)butyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate, 3-(4-Hydroxy-3-methoxyphenyl)propenoic acid 4-(nitrooxy)butyl ester, 3-Methoxy-4-hydroxy-trans-cinnamic acid 4-(nitrooxy)butyl ester
| Molecular Formula | C14H17NO7 |
|---|---|
| Molecular Weight | 311.10 g/mol |
| LogP | 1.9457 |
| Topological Polar Surface Area | 108.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 311.1005 |
| Heavy Atoms | 22 |
| Complexity | 541.9929 |
Chemical Identifiers
| CAS Number | 475561-36-5 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/C(=O)OCCCCO[N+](=O)[O-])O |
Product Overview
(E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid 4-nitrooxybutyl ester (CAS 475561-36-5), with molecular formula C14H17NO7 and molecular weight 311.10 g/mol. IUPAC: 4-nitrooxybutyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate.
Chemical Property Profile of (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid 4-nitrooxybutyl ester
Property Insights of (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid 4-nitrooxybutyl ester
The XLogP value of 1.9457 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid 4-nitrooxybutyl ester. The TPSA of 108.13 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid 4-nitrooxybutyl ester. Following Lipinski's Rule of Five, (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid 4-nitrooxybutyl ester has 1 hydrogen bond donor(s) and 7 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 (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid 4-nitrooxybutyl ester?
The CAS number of (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid 4-nitrooxybutyl ester is 475561-36-5.
What is the molecular formula of (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid 4-nitrooxybutyl ester?
The molecular formula of (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid 4-nitrooxybutyl ester is C14H17NO7.
What is the molecular weight of (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid 4-nitrooxybutyl ester?
The molecular weight of (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid 4-nitrooxybutyl ester is 311.10 g/mol.
Where can I buy (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid 4-nitrooxybutyl ester?
You can request a quote for (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid 4-nitrooxybutyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid 4-nitrooxybutyl ester?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid 4-nitrooxybutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.