![1-(1,1-Dimethylethyl) 4-[4-[4-[(2S)-2-carboxy-2-[[(phenylmethoxy)carbonyl]amino]ethyl]phenoxy]butyl]-1-piperidinecarboxylate structure](/static/products/142/142355-84-8.png)
1-(1,1-Dimethylethyl) 4-[4-[4-[(2S)-2-carboxy-2-[[(phenylmethoxy)carbonyl]amino]ethyl]phenoxy]butyl]-1-piperidinecarboxylate
TL;DR: 1-(1,1-Dimethylethyl) 4-[4-[4-[(2S)-2-carboxy-2-[[(phenylmethoxy)carbonyl]amino]ethyl]phenoxy]butyl]-1-piperidinecarboxylate (CAS 142355-84-8) is a chemical compound with molecular formula C31H42N2O7 and molecular weight 554.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-[4-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butoxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid
Also Known As: 1-(1,1-Dimethylethyl) 4-[4-[4-[(2S)-2-carboxy-2-[[(phenylmethoxy)carbonyl]amino]ethyl]phenoxy]butyl]-1-piperidinecarboxylate
| Molecular Formula | C31H42N2O7 |
|---|---|
| Molecular Weight | 554.30 g/mol |
| LogP | 5.8049 |
| Topological Polar Surface Area | 114.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 554.2992 |
| Heavy Atoms | 40 |
| Complexity | 1075.1128 |
Chemical Identifiers
| CAS Number | 142355-84-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCC(CC1)CCCCOC2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)OCC3=CC=CC=C3 |
Product Overview
1-(1,1-Dimethylethyl) 4-[4-[4-[(2S)-2-carboxy-2-[[(phenylmethoxy)carbonyl]amino]ethyl]phenoxy]butyl]-1-piperidinecarboxylate (CAS 142355-84-8), with molecular formula C31H42N2O7 and molecular weight 554.30 g/mol. IUPAC: (2S)-3-[4-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butoxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid.
Chemical Property Profile of 1-(1,1-Dimethylethyl) 4-[4-[4-[(2S)-2-carboxy-2-[[(phenylmethoxy)carbonyl]amino]ethyl]phenoxy]butyl]-1-piperidinecarboxylate
Property Insights of 1-(1,1-Dimethylethyl) 4-[4-[4-[(2S)-2-carboxy-2-[[(phenylmethoxy)carbonyl]amino]ethyl]phenoxy]butyl]-1-piperidinecarboxylate
The XLogP value of 5.8049 indicates that 1-(1,1-Dimethylethyl) 4-[4-[4-[(2S)-2-carboxy-2-[[(phenylmethoxy)carbonyl]amino]ethyl]phenoxy]butyl]-1-piperidinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,1-Dimethylethyl) 4-[4-[4-[(2S)-2-carboxy-2-[[(phenylmethoxy)carbonyl]amino]ethyl]phenoxy]butyl]-1-piperidinecarboxylate. Following Lipinski's Rule of Five, 1-(1,1-Dimethylethyl) 4-[4-[4-[(2S)-2-carboxy-2-[[(phenylmethoxy)carbonyl]amino]ethyl]phenoxy]butyl]-1-piperidinecarboxylate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(1,1-Dimethylethyl) 4-[4-[4-[(2S)-2-carboxy-2-[[(phenylmethoxy)carbonyl]amino]ethyl]phenoxy]butyl]-1-piperidinecarboxylate?
The CAS number of 1-(1,1-Dimethylethyl) 4-[4-[4-[(2S)-2-carboxy-2-[[(phenylmethoxy)carbonyl]amino]ethyl]phenoxy]butyl]-1-piperidinecarboxylate is 142355-84-8.
What is the molecular formula of 1-(1,1-Dimethylethyl) 4-[4-[4-[(2S)-2-carboxy-2-[[(phenylmethoxy)carbonyl]amino]ethyl]phenoxy]butyl]-1-piperidinecarboxylate?
The molecular formula of 1-(1,1-Dimethylethyl) 4-[4-[4-[(2S)-2-carboxy-2-[[(phenylmethoxy)carbonyl]amino]ethyl]phenoxy]butyl]-1-piperidinecarboxylate is C31H42N2O7.
What is the molecular weight of 1-(1,1-Dimethylethyl) 4-[4-[4-[(2S)-2-carboxy-2-[[(phenylmethoxy)carbonyl]amino]ethyl]phenoxy]butyl]-1-piperidinecarboxylate?
The molecular weight of 1-(1,1-Dimethylethyl) 4-[4-[4-[(2S)-2-carboxy-2-[[(phenylmethoxy)carbonyl]amino]ethyl]phenoxy]butyl]-1-piperidinecarboxylate is 554.30 g/mol.
Where can I buy 1-(1,1-Dimethylethyl) 4-[4-[4-[(2S)-2-carboxy-2-[[(phenylmethoxy)carbonyl]amino]ethyl]phenoxy]butyl]-1-piperidinecarboxylate?
You can request a quote for 1-(1,1-Dimethylethyl) 4-[4-[4-[(2S)-2-carboxy-2-[[(phenylmethoxy)carbonyl]amino]ethyl]phenoxy]butyl]-1-piperidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,1-Dimethylethyl) 4-[4-[4-[(2S)-2-carboxy-2-[[(phenylmethoxy)carbonyl]amino]ethyl]phenoxy]butyl]-1-piperidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,1-Dimethylethyl) 4-[4-[4-[(2S)-2-carboxy-2-[[(phenylmethoxy)carbonyl]amino]ethyl]phenoxy]butyl]-1-piperidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.