3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)acrylic acid
TL;DR: 3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)acrylic acid (CAS 181073-79-0) is a chemical compound with molecular formula C13H21NO4 and molecular weight 255.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]prop-2-enoic acid
Also Known As: 3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)acrylic acid, (2E)-3-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}prop-2-enoic acid, (E)-3-(1-(tert-butoxycarbonyl)piperidin-4-yl)acrylic acid, J1.854.746E, J2.027.991E
| Molecular Formula | C13H21NO4 |
|---|---|
| Molecular Weight | 255.15 g/mol |
| LogP | 2.2743 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.14706 |
| Heavy Atoms | 18 |
| Complexity | 335.39062 |
Chemical Identifiers
| CAS Number | 181073-79-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCC(CC1)/C=C/C(=O)O |
Product Overview
3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)acrylic acid (CAS 181073-79-0), with molecular formula C13H21NO4 and molecular weight 255.15 g/mol. IUPAC: (E)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]prop-2-enoic acid.
Chemical Property Profile of 3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)acrylic acid
Property Insights of 3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)acrylic acid
The XLogP value of 2.2743 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)acrylic acid. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)acrylic acid. Following Lipinski's Rule of Five, 3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)acrylic acid has 1 hydrogen bond donor(s) and 3 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 3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)acrylic acid?
The CAS number of 3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)acrylic acid is 181073-79-0.
What is the molecular formula of 3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)acrylic acid?
The molecular formula of 3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)acrylic acid is C13H21NO4.
What is the molecular weight of 3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)acrylic acid?
The molecular weight of 3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)acrylic acid is 255.15 g/mol.
Where can I buy 3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)acrylic acid?
You can request a quote for 3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.