1-苯基-3,4-二氢异喹啉-2(1H)-甲酰胺
TL;DR: 1-苯基-3,4-二氢异喹啉-2(1H)-甲酰胺 (CAS 42063-87-6) is a chemical compound with molecular formula C16H16N2O and molecular weight 252.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-苯基-3,4-二氢异喹啉-2(1H)-甲酰胺
1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
Also Known As: 1-phenyl-3,4-dihydroisoquinoline-2(1h)-carboxamide, 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide, 1-phenyl-2-carbamoyl-1,2,3,4-tetrahydroisoquinoline, 2(1H)-Isoquinolinecarboxamide,3,4-dihydro-1-phenyl-, RefChem:76955
| Molecular Formula | C16H16N2O |
|---|---|
| Molecular Weight | 252.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 46.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.12627 |
| Heavy Atoms | 19 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 42063-87-6 |
|---|---|
| SMILES | C1CN(C(C2=CC=CC=C21)C3=CC=CC=C3)C(=O)N |
| InChIKey | JEJSMVZIWCRGOL-UHFFFAOYSA-N |
Product Overview
1-苯基-3,4-二氢异喹啉-2(1H)-甲酰胺 (CAS 42063-87-6), with molecular formula C16H16N2O and molecular weight 252.13 g/mol. IUPAC: 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
Chemical Property Profile of 1-苯基-3,4-二氢异喹啉-2(1H)-甲酰胺
Property Insights of 1-苯基-3,4-二氢异喹啉-2(1H)-甲酰胺
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-苯基-3,4-二氢异喹啉-2(1H)-甲酰胺. With a topological polar surface area (TPSA) of 46.3 Ų, 1-苯基-3,4-二氢异喹啉-2(1H)-甲酰胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-苯基-3,4-二氢异喹啉-2(1H)-甲酰胺 has 1 hydrogen bond donor(s) and 1 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 1-苯基-3,4-二氢异喹啉-2(1H)-甲酰胺?
The CAS number of 1-苯基-3,4-二氢异喹啉-2(1H)-甲酰胺 is 42063-87-6.
What is the molecular formula of 1-苯基-3,4-二氢异喹啉-2(1H)-甲酰胺?
The molecular formula of 1-苯基-3,4-二氢异喹啉-2(1H)-甲酰胺 is C16H16N2O.
What is the molecular weight of 1-苯基-3,4-二氢异喹啉-2(1H)-甲酰胺?
The molecular weight of 1-苯基-3,4-二氢异喹啉-2(1H)-甲酰胺 is 252.13 g/mol.
Where can I buy 1-苯基-3,4-二氢异喹啉-2(1H)-甲酰胺?
You can request a quote for 1-苯基-3,4-二氢异喹啉-2(1H)-甲酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-苯基-3,4-二氢异喹啉-2(1H)-甲酰胺?
Yes, KEHONG BIO provides custom synthesis services for 1-苯基-3,4-二氢异喹啉-2(1H)-甲酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.