![3-{[4-(Tert-butoxycarbonyl)piperazin-1-yl]methyl}benzoic acid structure](/static/products/5000/500013-38-7.webp)
3-{[4-(Tert-butoxycarbonyl)piperazin-1-yl]methyl}benzoic acid
TL;DR: 3-{[4-(Tert-butoxycarbonyl)piperazin-1-yl]methyl}benzoic acid (CAS 500013-38-7) is a chemical compound with molecular formula C17H24N2O4 and molecular weight 320.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid
Also Known As: 3-{[4-(tert-butoxycarbonyl)piperazin-1-yl]methyl}benzoic acid, 3-((4-(tert-butoxycarbonyl)piperazin-1-yl)methyl)benzoic acid, 1-(3-carboxyphenylmethyl)-4-Boc piperazine, 1-BOC-4-(3-CARBOXY-BENZYL)-PIPERAZINE, 3-(4-N-Boc-Piperazin-1-yl)methylbenzoic acid
| Molecular Formula | C17H24N2O4 |
|---|---|
| Molecular Weight | 320.17 g/mol |
| LogP | 2.4375 |
| Topological Polar Surface Area | 70.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.1736 |
| Heavy Atoms | 23 |
| Complexity | 572.20123 |
Chemical Identifiers
| CAS Number | 500013-38-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC(=CC=C2)C(=O)O |
Product Overview
3-{[4-(Tert-butoxycarbonyl)piperazin-1-yl]methyl}benzoic acid (CAS 500013-38-7), with molecular formula C17H24N2O4 and molecular weight 320.17 g/mol. IUPAC: 3-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid.
Chemical Property Profile of 3-{[4-(Tert-butoxycarbonyl)piperazin-1-yl]methyl}benzoic acid
Property Insights of 3-{[4-(Tert-butoxycarbonyl)piperazin-1-yl]methyl}benzoic acid
The XLogP value of 2.4375 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[4-(Tert-butoxycarbonyl)piperazin-1-yl]methyl}benzoic acid. The TPSA of 70.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[4-(Tert-butoxycarbonyl)piperazin-1-yl]methyl}benzoic acid. Following Lipinski's Rule of Five, 3-{[4-(Tert-butoxycarbonyl)piperazin-1-yl]methyl}benzoic acid has 1 hydrogen bond donor(s) and 4 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-{[4-(Tert-butoxycarbonyl)piperazin-1-yl]methyl}benzoic acid?
The CAS number of 3-{[4-(Tert-butoxycarbonyl)piperazin-1-yl]methyl}benzoic acid is 500013-38-7.
What is the molecular formula of 3-{[4-(Tert-butoxycarbonyl)piperazin-1-yl]methyl}benzoic acid?
The molecular formula of 3-{[4-(Tert-butoxycarbonyl)piperazin-1-yl]methyl}benzoic acid is C17H24N2O4.
What is the molecular weight of 3-{[4-(Tert-butoxycarbonyl)piperazin-1-yl]methyl}benzoic acid?
The molecular weight of 3-{[4-(Tert-butoxycarbonyl)piperazin-1-yl]methyl}benzoic acid is 320.17 g/mol.
Where can I buy 3-{[4-(Tert-butoxycarbonyl)piperazin-1-yl]methyl}benzoic acid?
You can request a quote for 3-{[4-(Tert-butoxycarbonyl)piperazin-1-yl]methyl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[4-(Tert-butoxycarbonyl)piperazin-1-yl]methyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[4-(Tert-butoxycarbonyl)piperazin-1-yl]methyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.