1(2H)-Thioisocarbostyril, 3,4-dihydro-2,3-dimethyl-4-phenyl-, (E)-
TL;DR: 1(2H)-Thioisocarbostyril, 3,4-dihydro-2,3-dimethyl-4-phenyl-, (E)- (CAS 41958-55-8) is a chemical compound with molecular formula C17H17NS and molecular weight 267.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4S)-2,3-dimethyl-4-phenyl-3,4-dihydroisoquinoline-1-thione
Also Known As: trans-2,3-Dimethyl-4-phenyl-3,4-dihydrothioisocarbostyril, 1(2H)-Isoquinolinethione, 3,4-dihydro-2,3-dimethyl-4-phenyl-, (E)-, 1(2H)-Thioisocarbostyril, 3,4-dihydro-2,3-dimethyl-4-phenyl-, (E)-, (3R,4S)-2,3-dimethyl-4-phenyl-3,4-dihydroisoquinoline-1-thione, (3R,4S)-2,3-Dimethyl-4-phenyl-3,4-dihydroisoquinoline-1(2H)-thione
| Molecular Formula | C17H17NS |
|---|---|
| Molecular Weight | 267.11 g/mol |
| LogP | 3.8279 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 267.1082 |
| Heavy Atoms | 19 |
| Complexity | 605.66895 |
Chemical Identifiers
| CAS Number | 41958-55-8 |
|---|---|
| SMILES | C[C@@H]1[C@H](C2=CC=CC=C2C(=S)N1C)C3=CC=CC=C3 |
Product Overview
1(2H)-Thioisocarbostyril, 3,4-dihydro-2,3-dimethyl-4-phenyl-, (E)- (CAS 41958-55-8), with molecular formula C17H17NS and molecular weight 267.11 g/mol. IUPAC: (3R,4S)-2,3-dimethyl-4-phenyl-3,4-dihydroisoquinoline-1-thione.
Chemical Property Profile of 1(2H)-Thioisocarbostyril, 3,4-dihydro-2,3-dimethyl-4-phenyl-, (E)-
Property Insights of 1(2H)-Thioisocarbostyril, 3,4-dihydro-2,3-dimethyl-4-phenyl-, (E)-
The XLogP value of 3.8279 indicates that 1(2H)-Thioisocarbostyril, 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 3.24 Ų, 1(2H)-Thioisocarbostyril, 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)-Thioisocarbostyril, 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)-Thioisocarbostyril, 3,4-dihydro-2,3-dimethyl-4-phenyl-, (E)-?
The CAS number of 1(2H)-Thioisocarbostyril, 3,4-dihydro-2,3-dimethyl-4-phenyl-, (E)- is 41958-55-8.
What is the molecular formula of 1(2H)-Thioisocarbostyril, 3,4-dihydro-2,3-dimethyl-4-phenyl-, (E)-?
The molecular formula of 1(2H)-Thioisocarbostyril, 3,4-dihydro-2,3-dimethyl-4-phenyl-, (E)- is C17H17NS.
What is the molecular weight of 1(2H)-Thioisocarbostyril, 3,4-dihydro-2,3-dimethyl-4-phenyl-, (E)-?
The molecular weight of 1(2H)-Thioisocarbostyril, 3,4-dihydro-2,3-dimethyl-4-phenyl-, (E)- is 267.11 g/mol.
Where can I buy 1(2H)-Thioisocarbostyril, 3,4-dihydro-2,3-dimethyl-4-phenyl-, (E)-?
You can request a quote for 1(2H)-Thioisocarbostyril, 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)-Thioisocarbostyril, 3,4-dihydro-2,3-dimethyl-4-phenyl-, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 1(2H)-Thioisocarbostyril, 3,4-dihydro-2,3-dimethyl-4-phenyl-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.