(S)-tert-butyl 3-((2-oxo-2-(propylamino)ethyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
TL;DR: (S)-tert-butyl 3-((2-oxo-2-(propylamino)ethyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate (CAS 1173686-01-5) is a chemical compound with molecular formula C20H29N3O4 and molecular weight 375.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (3S)-3-[[2-oxo-2-(propylamino)ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
Also Known As: (S)-tert-butyl 3-((2-oxo-2-(propylamino)ethyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate, tert-butyl (3S)-3-[[2-oxo-2-(propylamino)ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate, tert-butyl (3S)-3-{[2-oxo-2-(propylamino)ethyl]carbamoyl}-3,4-dihydroisoquinoline-2(1H)-carboxylate
| Molecular Formula | C20H29N3O4 |
|---|---|
| Molecular Weight | 375.22 g/mol |
| LogP | 1.9908 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.21582 |
| Heavy Atoms | 27 |
| Complexity | 696.7124 |
Chemical Identifiers
| CAS Number | 1173686-01-5 |
|---|---|
| SMILES | CCCNC(=O)CNC(=O)[C@@H]1CC2=CC=CC=C2CN1C(=O)OC(C)(C)C |
Product Overview
(S)-tert-butyl 3-((2-oxo-2-(propylamino)ethyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate (CAS 1173686-01-5), with molecular formula C20H29N3O4 and molecular weight 375.22 g/mol. IUPAC: tert-butyl (3S)-3-[[2-oxo-2-(propylamino)ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate.
Chemical Property Profile of (S)-tert-butyl 3-((2-oxo-2-(propylamino)ethyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
Property Insights of (S)-tert-butyl 3-((2-oxo-2-(propylamino)ethyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
The XLogP value of 1.9908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-tert-butyl 3-((2-oxo-2-(propylamino)ethyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate. The TPSA of 87.74 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-tert-butyl 3-((2-oxo-2-(propylamino)ethyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate. Following Lipinski's Rule of Five, (S)-tert-butyl 3-((2-oxo-2-(propylamino)ethyl)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
Frequently Asked Questions
What is the CAS number of (S)-tert-butyl 3-((2-oxo-2-(propylamino)ethyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate?
The CAS number of (S)-tert-butyl 3-((2-oxo-2-(propylamino)ethyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate is 1173686-01-5.
What is the molecular formula of (S)-tert-butyl 3-((2-oxo-2-(propylamino)ethyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate?
The molecular formula of (S)-tert-butyl 3-((2-oxo-2-(propylamino)ethyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate is C20H29N3O4.
What is the molecular weight of (S)-tert-butyl 3-((2-oxo-2-(propylamino)ethyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate?
The molecular weight of (S)-tert-butyl 3-((2-oxo-2-(propylamino)ethyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate is 375.22 g/mol.
Where can I buy (S)-tert-butyl 3-((2-oxo-2-(propylamino)ethyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate?
You can request a quote for (S)-tert-butyl 3-((2-oxo-2-(propylamino)ethyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-tert-butyl 3-((2-oxo-2-(propylamino)ethyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (S)-tert-butyl 3-((2-oxo-2-(propylamino)ethyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.