(S)-tert-butyl 3-(((R)-1-oxo-1-(propylamino)propan-2-yl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
TL;DR: (S)-tert-butyl 3-(((R)-1-oxo-1-(propylamino)propan-2-yl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate (CAS 1173677-36-5) is a chemical compound with molecular formula C21H31N3O4 and molecular weight 389.23145 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl (3S)-3-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
Also Known As: (S)-tert-butyl 3-(((R)-1-oxo-1-(propylamino)propan-2-yl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate, tert-butyl (3S)-3-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate, tert-butyl (3S)-3-{[(2R)-1-oxo-1-(propylamino)propan-2-yl]carbamoyl}-3,4-dihydroisoquinoline-2(1H)-carboxylate
Technical Specifications
| Molecular Formula | C21H31N3O4 |
| Molecular Weight | 389.23145 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 87.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 389.23145 Da |
| Heavy Atoms | 28 |
| Complexity | 572.0 |
| SMILES | CCCNC(=O)[C@@H](C)NC(=O)[C@@H]1CC2=CC=CC=C2CN1C(=O)OC(C)(C)C |
| InChIKey | KRTFMJTUCUKYAU-PBHICJAKSA-N |
Chemical Property Profile of (S)-tert-butyl 3-(((R)-1-oxo-1-(propylamino)propan-2-yl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
Property Insights of (S)-tert-butyl 3-(((R)-1-oxo-1-(propylamino)propan-2-yl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-tert-butyl 3-(((R)-1-oxo-1-(propylamino)propan-2-yl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-tert-butyl 3-(((R)-1-oxo-1-(propylamino)propan-2-yl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate. Following Lipinski's Rule of Five, (S)-tert-butyl 3-(((R)-1-oxo-1-(propylamino)propan-2-yl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate 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
What is the CAS number of (S)-tert-butyl 3-(((R)-1-oxo-1-(propylamino)propan-2-yl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate?
The CAS number of (S)-tert-butyl 3-(((R)-1-oxo-1-(propylamino)propan-2-yl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate is 1173677-36-5.
What is the molecular formula of (S)-tert-butyl 3-(((R)-1-oxo-1-(propylamino)propan-2-yl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate?
The molecular formula of (S)-tert-butyl 3-(((R)-1-oxo-1-(propylamino)propan-2-yl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate is C21H31N3O4.
What is the molecular weight of (S)-tert-butyl 3-(((R)-1-oxo-1-(propylamino)propan-2-yl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate?
The molecular weight of (S)-tert-butyl 3-(((R)-1-oxo-1-(propylamino)propan-2-yl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate is 389.23145 g/mol.
Where can I buy (S)-tert-butyl 3-(((R)-1-oxo-1-(propylamino)propan-2-yl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate?
You can request a quote for (S)-tert-butyl 3-(((R)-1-oxo-1-(propylamino)propan-2-yl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-tert-butyl 3-(((R)-1-oxo-1-(propylamino)propan-2-yl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate?
Yes, CoreyChem provides custom synthesis services for (S)-tert-butyl 3-(((R)-1-oxo-1-(propylamino)propan-2-yl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.