(S)-tert-butyl 3-((4-methylbenzyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
TL;DR: (S)-tert-butyl 3-((4-methylbenzyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate (CAS 1173675-85-8) is a chemical compound with molecular formula C23H28N2O3 and molecular weight 380.21 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl (3S)-3-[(4-methylphenyl)methylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
Also Known As: (S)-tert-butyl 3-((4-methylbenzyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate, tert-butyl (3S)-3-[(4-methylbenzyl)carbamoyl]-3,4-dihydroisoquinoline-2(1H)-carboxylate, tert-butyl (3S)-3-[(4-methylphenyl)methylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
Technical Specifications
| Molecular Formula | C23H28N2O3 |
| Molecular Weight | 380.21 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.21 Da |
| Heavy Atoms | 28 |
| Complexity | 549.0 |
| SMILES | CC1=CC=C(C=C1)CNC(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C |
| InChIKey | RJQCATAJEQJNIE-FQEVSTJZSA-N |
Chemical Property Profile of (S)-tert-butyl 3-((4-methylbenzyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
Property Insights of (S)-tert-butyl 3-((4-methylbenzyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
The XLogP value of 3.9 indicates that (S)-tert-butyl 3-((4-methylbenzyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, (S)-tert-butyl 3-((4-methylbenzyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-tert-butyl 3-((4-methylbenzyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate has 1 hydrogen bond donor(s) and 3 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-((4-methylbenzyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate?
The CAS number of (S)-tert-butyl 3-((4-methylbenzyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate is 1173675-85-8.
What is the molecular formula of (S)-tert-butyl 3-((4-methylbenzyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate?
The molecular formula of (S)-tert-butyl 3-((4-methylbenzyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate is C23H28N2O3.
What is the molecular weight of (S)-tert-butyl 3-((4-methylbenzyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate?
The molecular weight of (S)-tert-butyl 3-((4-methylbenzyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate is 380.21 g/mol.
Where can I buy (S)-tert-butyl 3-((4-methylbenzyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate?
You can request a quote for (S)-tert-butyl 3-((4-methylbenzyl)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-((4-methylbenzyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate?
Yes, CoreyChem provides custom synthesis services for (S)-tert-butyl 3-((4-methylbenzyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.