2Quin(SMeCys)Phe(CHOHCH2)pipCONHtBu
TL;DR: 2Quin(SMeCys)Phe(CHOHCH2)pipCONHtBu (CAS 127750-00-9) is a chemical compound with molecular formula C34H45N5O4S and molecular weight 619.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2R)-1-[[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]quinoline-2-carboxamide
Also Known As: 2Quin(SMeCys)Phe(CHOHCH2)pipCONHtBu, 2Quin(SMeCys)Phe[CHOHCH2]pipCONHtBu, 2-Quinolinecarboxamide, N-(2-((3-(2-(((1,1-dimethylethyl)amino)carbonyl)-1-piperidinyl)-2-hydroxy-1-(phenylmethyl)propyl)amino)-1-((methylthio)methyl)-2-oxoethyl)-, (2S-(1(1R*(S*),2S*),2R*))-, 1-((2-Quinolincarbonyl)-(S-methylcystyl)-(decarbonylPhehydroxyethyl))-2-(N-tertbutylcarbamoyl)piperidine, N-[(2R)-1-[[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]quinoline-2-carboxamide
| Molecular Formula | C34H45N5O4S |
|---|---|
| Molecular Weight | 619.32 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 619.3192 |
| Heavy Atoms | 44 |
| Complexity | 939.0 |
Chemical Identifiers
| CAS Number | 127750-00-9 |
|---|---|
| SMILES | CC(C)(C)NC(=O)[C@@H]1CCCCN1C[C@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CSC)NC(=O)C3=NC4=CC=CC=C4C=C3)O |
| InChIKey | MATDMESVLVWDAX-GCXHJFECSA-N |
Product Overview
2Quin(SMeCys)Phe(CHOHCH2)pipCONHtBu (CAS 127750-00-9), with molecular formula C34H45N5O4S and molecular weight 619.32 g/mol. IUPAC: N-[(2R)-1-[[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]quinoline-2-carboxamide.
Chemical Property Profile of 2Quin(SMeCys)Phe(CHOHCH2)pipCONHtBu
Property Insights of 2Quin(SMeCys)Phe(CHOHCH2)pipCONHtBu
The XLogP value of 4.5 indicates that 2Quin(SMeCys)Phe(CHOHCH2)pipCONHtBu is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.0 Ų indicates high polarity, suggesting 2Quin(SMeCys)Phe(CHOHCH2)pipCONHtBu may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2Quin(SMeCys)Phe(CHOHCH2)pipCONHtBu has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2Quin(SMeCys)Phe(CHOHCH2)pipCONHtBu?
The CAS number of 2Quin(SMeCys)Phe(CHOHCH2)pipCONHtBu is 127750-00-9.
What is the molecular formula of 2Quin(SMeCys)Phe(CHOHCH2)pipCONHtBu?
The molecular formula of 2Quin(SMeCys)Phe(CHOHCH2)pipCONHtBu is C34H45N5O4S.
What is the molecular weight of 2Quin(SMeCys)Phe(CHOHCH2)pipCONHtBu?
The molecular weight of 2Quin(SMeCys)Phe(CHOHCH2)pipCONHtBu is 619.32 g/mol.
Where can I buy 2Quin(SMeCys)Phe(CHOHCH2)pipCONHtBu?
You can request a quote for 2Quin(SMeCys)Phe(CHOHCH2)pipCONHtBu directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2Quin(SMeCys)Phe(CHOHCH2)pipCONHtBu?
Yes, KEHONG BIO provides custom synthesis services for 2Quin(SMeCys)Phe(CHOHCH2)pipCONHtBu and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.