![(2S)-4-methyl-2-[[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]pentanoic acid structure](/static/products/103/1034535-60-8.png)
(2S)-4-methyl-2-[[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]pentanoic acid
TL;DR: (2S)-4-methyl-2-[[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]pentanoic acid (CAS 1034535-60-8) is a chemical compound with molecular formula C21H30N2O5 and molecular weight 390.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-4-methyl-2-[[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]pentanoic acid
Also Known As: (2S)-4-methyl-2-[[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]pentanoic acid, (S)-2-((S)-2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamido)-4-methylpentanoic acid
| Molecular Formula | C21H30N2O5 |
|---|---|
| Molecular Weight | 390.22 g/mol |
| LogP | 2.9639 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.21548 |
| Heavy Atoms | 28 |
| Complexity | 738.55664 |
Chemical Identifiers
| CAS Number | 1034535-60-8 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)O)NC(=O)[C@@H]1CC2=CC=CC=C2CN1C(=O)OC(C)(C)C |
Product Overview
(2S)-4-methyl-2-[[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]pentanoic acid (CAS 1034535-60-8), with molecular formula C21H30N2O5 and molecular weight 390.22 g/mol. IUPAC: (2S)-4-methyl-2-[[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]pentanoic acid.
Chemical Property Profile of (2S)-4-methyl-2-[[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]pentanoic acid
Property Insights of (2S)-4-methyl-2-[[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]pentanoic acid
The XLogP value of 2.9639 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-4-methyl-2-[[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]pentanoic acid. The TPSA of 95.94 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-4-methyl-2-[[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]pentanoic acid. Following Lipinski's Rule of Five, (2S)-4-methyl-2-[[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]pentanoic acid has 2 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 (2S)-4-methyl-2-[[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]pentanoic acid?
The CAS number of (2S)-4-methyl-2-[[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]pentanoic acid is 1034535-60-8.
What is the molecular formula of (2S)-4-methyl-2-[[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]pentanoic acid?
The molecular formula of (2S)-4-methyl-2-[[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]pentanoic acid is C21H30N2O5.
What is the molecular weight of (2S)-4-methyl-2-[[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]pentanoic acid?
The molecular weight of (2S)-4-methyl-2-[[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]pentanoic acid is 390.22 g/mol.
Where can I buy (2S)-4-methyl-2-[[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]pentanoic acid?
You can request a quote for (2S)-4-methyl-2-[[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]pentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-4-methyl-2-[[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]pentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-4-methyl-2-[[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]pentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.