(S)-2-(1-((S)-3-(tert-butoxycarbonyl)thiazolidine-4-carbonyl)-4-phenylpiperidine-4-carboxamido)-4-methylpentanoic acid
TL;DR: (S)-2-(1-((S)-3-(tert-butoxycarbonyl)thiazolidine-4-carbonyl)-4-phenylpiperidine-4-carboxamido)-4-methylpentanoic acid (CAS 1164551-12-5) is a chemical compound with molecular formula C27H39N3O6S and molecular weight 533.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-4-methyl-2-[[1-[(4S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carbonyl]-4-phenylpiperidine-4-carbonyl]amino]pentanoic acid
Also Known As: (S)-2-(1-((S)-3-(tert-butoxycarbonyl)thiazolidine-4-carbonyl)-4-phenylpiperidine-4-carboxamido)-4-methylpentanoic acid, (S)-4-[4-((S)-1-Carboxy-3-methyl-butylcarbamoyl)-4-phenyl-piperidine-1-carbonyl]-thiazolidine-3-carbo xylic acid tert-butyl ester, N-[(1-{[(4S)-3-(tert-butoxycarbonyl)-1,3-thiazolidin-4-yl]carbonyl}-4-phenylpiperidin-4-yl)carbonyl]-L-leucine
| Molecular Formula | C27H39N3O6S |
|---|---|
| Molecular Weight | 533.26 g/mol |
| LogP | 3.4723 |
| Topological Polar Surface Area | 116.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 533.256 |
| Heavy Atoms | 37 |
| Complexity | 985.60565 |
Chemical Identifiers
| CAS Number | 1164551-12-5 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)O)NC(=O)C1(CCN(CC1)C(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)C3=CC=CC=C3 |
Product Overview
(S)-2-(1-((S)-3-(tert-butoxycarbonyl)thiazolidine-4-carbonyl)-4-phenylpiperidine-4-carboxamido)-4-methylpentanoic acid (CAS 1164551-12-5), with molecular formula C27H39N3O6S and molecular weight 533.26 g/mol. IUPAC: (2S)-4-methyl-2-[[1-[(4S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carbonyl]-4-phenylpiperidine-4-carbonyl]amino]pentanoic acid.
Chemical Property Profile of (S)-2-(1-((S)-3-(tert-butoxycarbonyl)thiazolidine-4-carbonyl)-4-phenylpiperidine-4-carboxamido)-4-methylpentanoic acid
Property Insights of (S)-2-(1-((S)-3-(tert-butoxycarbonyl)thiazolidine-4-carbonyl)-4-phenylpiperidine-4-carboxamido)-4-methylpentanoic acid
The XLogP value of 3.4723 indicates that (S)-2-(1-((S)-3-(tert-butoxycarbonyl)thiazolidine-4-carbonyl)-4-phenylpiperidine-4-carboxamido)-4-methylpentanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.25 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-(1-((S)-3-(tert-butoxycarbonyl)thiazolidine-4-carbonyl)-4-phenylpiperidine-4-carboxamido)-4-methylpentanoic acid. Following Lipinski's Rule of Five, (S)-2-(1-((S)-3-(tert-butoxycarbonyl)thiazolidine-4-carbonyl)-4-phenylpiperidine-4-carboxamido)-4-methylpentanoic acid 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 (S)-2-(1-((S)-3-(tert-butoxycarbonyl)thiazolidine-4-carbonyl)-4-phenylpiperidine-4-carboxamido)-4-methylpentanoic acid?
The CAS number of (S)-2-(1-((S)-3-(tert-butoxycarbonyl)thiazolidine-4-carbonyl)-4-phenylpiperidine-4-carboxamido)-4-methylpentanoic acid is 1164551-12-5.
What is the molecular formula of (S)-2-(1-((S)-3-(tert-butoxycarbonyl)thiazolidine-4-carbonyl)-4-phenylpiperidine-4-carboxamido)-4-methylpentanoic acid?
The molecular formula of (S)-2-(1-((S)-3-(tert-butoxycarbonyl)thiazolidine-4-carbonyl)-4-phenylpiperidine-4-carboxamido)-4-methylpentanoic acid is C27H39N3O6S.
What is the molecular weight of (S)-2-(1-((S)-3-(tert-butoxycarbonyl)thiazolidine-4-carbonyl)-4-phenylpiperidine-4-carboxamido)-4-methylpentanoic acid?
The molecular weight of (S)-2-(1-((S)-3-(tert-butoxycarbonyl)thiazolidine-4-carbonyl)-4-phenylpiperidine-4-carboxamido)-4-methylpentanoic acid is 533.26 g/mol.
Where can I buy (S)-2-(1-((S)-3-(tert-butoxycarbonyl)thiazolidine-4-carbonyl)-4-phenylpiperidine-4-carboxamido)-4-methylpentanoic acid?
You can request a quote for (S)-2-(1-((S)-3-(tert-butoxycarbonyl)thiazolidine-4-carbonyl)-4-phenylpiperidine-4-carboxamido)-4-methylpentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2-(1-((S)-3-(tert-butoxycarbonyl)thiazolidine-4-carbonyl)-4-phenylpiperidine-4-carboxamido)-4-methylpentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-(1-((S)-3-(tert-butoxycarbonyl)thiazolidine-4-carbonyl)-4-phenylpiperidine-4-carboxamido)-4-methylpentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.