(S)-tert-butyl 3-((2-methoxy-5-methylphenyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
TL;DR: (S)-tert-butyl 3-((2-methoxy-5-methylphenyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate (CAS 1173679-66-7) is a chemical compound with molecular formula C23H28N2O4 and molecular weight 396.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (3S)-3-[(2-methoxy-5-methylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
Also Known As: (S)-tert-butyl 3-((2-methoxy-5-methylphenyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate, tert-butyl (3S)-3-[(2-methoxy-5-methylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate, tert-butyl (3S)-3-[(2-methoxy-5-methylphenyl)carbamoyl]-3,4-dihydroisoquinoline-2(1H)-carboxylate
| Molecular Formula | C23H28N2O4 |
|---|---|
| Molecular Weight | 396.20 g/mol |
| LogP | 4.30412 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 396.2049 |
| Heavy Atoms | 29 |
| Complexity | 917.3341 |
Chemical Identifiers
| CAS Number | 1173679-66-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC)NC(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C |
Product Overview
(S)-tert-butyl 3-((2-methoxy-5-methylphenyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate (CAS 1173679-66-7), with molecular formula C23H28N2O4 and molecular weight 396.20 g/mol. IUPAC: tert-butyl (3S)-3-[(2-methoxy-5-methylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate.
Chemical Property Profile of (S)-tert-butyl 3-((2-methoxy-5-methylphenyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
Property Insights of (S)-tert-butyl 3-((2-methoxy-5-methylphenyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
The XLogP value of 4.30412 indicates that (S)-tert-butyl 3-((2-methoxy-5-methylphenyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-tert-butyl 3-((2-methoxy-5-methylphenyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate. Following Lipinski's Rule of Five, (S)-tert-butyl 3-((2-methoxy-5-methylphenyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate has 1 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-methoxy-5-methylphenyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate?
The CAS number of (S)-tert-butyl 3-((2-methoxy-5-methylphenyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate is 1173679-66-7.
What is the molecular formula of (S)-tert-butyl 3-((2-methoxy-5-methylphenyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate?
The molecular formula of (S)-tert-butyl 3-((2-methoxy-5-methylphenyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate is C23H28N2O4.
What is the molecular weight of (S)-tert-butyl 3-((2-methoxy-5-methylphenyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate?
The molecular weight of (S)-tert-butyl 3-((2-methoxy-5-methylphenyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate is 396.20 g/mol.
Where can I buy (S)-tert-butyl 3-((2-methoxy-5-methylphenyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate?
You can request a quote for (S)-tert-butyl 3-((2-methoxy-5-methylphenyl)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-methoxy-5-methylphenyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (S)-tert-butyl 3-((2-methoxy-5-methylphenyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.