1(2H)-Isocarbostyril, 3,4-dihydro-2,3-dimethyl-4-phenyl-, (E)-
TL;DR: 1(2H)-Isocarbostyril, 3,4-dihydro-2,3-dimethyl-4-phenyl-, (E)- (CAS 41958-52-5) is a chemical compound with molecular formula C17H17NO and molecular weight 251.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4R)-2,3-dimethyl-4-phenyl-3,4-dihydroisoquinolin-1-one
Also Known As: 1(2H)-ISOCARBOSTYRIL, 3,4-DIHYDRO-2,3-DIMETHYL-4-PHENYL-, (E)-, 1(2H)-Isoquinolone, 3,4-dihydro-2,3-dimethyl-4-phenyl-, (E)-, trans-3,4-Dihydro-2,3-dimethyl-4-phenyl-1(2H)-isocarbostyril, (3S,4R)-2,3-dimethyl-4-phenyl-3,4-dihydroisoquinolin-1-one, (3S,4R)-2,3-Dimethyl-4-phenyl-3,4-dihydroisoquinolin-1(2H)-one
| Molecular Formula | C17H17NO |
|---|---|
| Molecular Weight | 251.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.13101 |
| Heavy Atoms | 19 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 41958-52-5 |
|---|---|
| SMILES | C[C@H]1[C@@H](C2=CC=CC=C2C(=O)N1C)C3=CC=CC=C3 |
| InChIKey | AWRSALJVHLUCAT-BLLLJJGKSA-N |
Product Overview
1(2H)-Isocarbostyril, 3,4-dihydro-2,3-dimethyl-4-phenyl-, (E)- (CAS 41958-52-5), with molecular formula C17H17NO and molecular weight 251.13 g/mol. IUPAC: (3S,4R)-2,3-dimethyl-4-phenyl-3,4-dihydroisoquinolin-1-one.
Chemical Property Profile of 1(2H)-Isocarbostyril, 3,4-dihydro-2,3-dimethyl-4-phenyl-, (E)-
Property Insights of 1(2H)-Isocarbostyril, 3,4-dihydro-2,3-dimethyl-4-phenyl-, (E)-
The XLogP value of 3.3 indicates that 1(2H)-Isocarbostyril, 3,4-dihydro-2,3-dimethyl-4-phenyl-, (E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 1(2H)-Isocarbostyril, 3,4-dihydro-2,3-dimethyl-4-phenyl-, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(2H)-Isocarbostyril, 3,4-dihydro-2,3-dimethyl-4-phenyl-, (E)- has 0 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(2H)-Isocarbostyril, 3,4-dihydro-2,3-dimethyl-4-phenyl-, (E)-?
The CAS number of 1(2H)-Isocarbostyril, 3,4-dihydro-2,3-dimethyl-4-phenyl-, (E)- is 41958-52-5.
What is the molecular formula of 1(2H)-Isocarbostyril, 3,4-dihydro-2,3-dimethyl-4-phenyl-, (E)-?
The molecular formula of 1(2H)-Isocarbostyril, 3,4-dihydro-2,3-dimethyl-4-phenyl-, (E)- is C17H17NO.
What is the molecular weight of 1(2H)-Isocarbostyril, 3,4-dihydro-2,3-dimethyl-4-phenyl-, (E)-?
The molecular weight of 1(2H)-Isocarbostyril, 3,4-dihydro-2,3-dimethyl-4-phenyl-, (E)- is 251.13 g/mol.
Where can I buy 1(2H)-Isocarbostyril, 3,4-dihydro-2,3-dimethyl-4-phenyl-, (E)-?
You can request a quote for 1(2H)-Isocarbostyril, 3,4-dihydro-2,3-dimethyl-4-phenyl-, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1(2H)-Isocarbostyril, 3,4-dihydro-2,3-dimethyl-4-phenyl-, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 1(2H)-Isocarbostyril, 3,4-dihydro-2,3-dimethyl-4-phenyl-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.