(S)-tert-butyl 3-((2-oxo-2-(m-tolylamino)ethyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
TL;DR: (S)-tert-butyl 3-((2-oxo-2-(m-tolylamino)ethyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate (CAS 1173685-37-4) is a chemical compound with molecular formula C24H29N3O4 and molecular weight 423.21582 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl (3S)-3-[[2-(3-methylanilino)-2-oxoethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
Also Known As: (S)-tert-butyl 3-((2-oxo-2-(m-tolylamino)ethyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate, tert-butyl (3S)-3-({2-[(3-methylphenyl)amino]-2-oxoethyl}carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate, tert-butyl (3S)-3-[[2-(3-methylanilino)-2-oxoethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
Technical Specifications
| Molecular Formula | C24H29N3O4 |
| Molecular Weight | 423.21582 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 87.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.21582 Da |
| Heavy Atoms | 31 |
| Complexity | 660.0 |
| SMILES | CC1=CC(=CC=C1)NC(=O)CNC(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C |
| InChIKey | NNDRPRHOXZCPTD-FQEVSTJZSA-N |
Chemical Property Profile of (S)-tert-butyl 3-((2-oxo-2-(m-tolylamino)ethyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
Property Insights of (S)-tert-butyl 3-((2-oxo-2-(m-tolylamino)ethyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
The XLogP value of 3.3 indicates that (S)-tert-butyl 3-((2-oxo-2-(m-tolylamino)ethyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-tert-butyl 3-((2-oxo-2-(m-tolylamino)ethyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate. Following Lipinski's Rule of Five, (S)-tert-butyl 3-((2-oxo-2-(m-tolylamino)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
What is the CAS number of (S)-tert-butyl 3-((2-oxo-2-(m-tolylamino)ethyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate?
The CAS number of (S)-tert-butyl 3-((2-oxo-2-(m-tolylamino)ethyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate is 1173685-37-4.
What is the molecular formula of (S)-tert-butyl 3-((2-oxo-2-(m-tolylamino)ethyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate?
The molecular formula of (S)-tert-butyl 3-((2-oxo-2-(m-tolylamino)ethyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate is C24H29N3O4.
What is the molecular weight of (S)-tert-butyl 3-((2-oxo-2-(m-tolylamino)ethyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate?
The molecular weight of (S)-tert-butyl 3-((2-oxo-2-(m-tolylamino)ethyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate is 423.21582 g/mol.
Where can I buy (S)-tert-butyl 3-((2-oxo-2-(m-tolylamino)ethyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate?
You can request a quote for (S)-tert-butyl 3-((2-oxo-2-(m-tolylamino)ethyl)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-((2-oxo-2-(m-tolylamino)ethyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate?
Yes, CoreyChem provides custom synthesis services for (S)-tert-butyl 3-((2-oxo-2-(m-tolylamino)ethyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.