Tetrahydroisoquinoline hydantoin derivative, 5a
TL;DR: Tetrahydroisoquinoline hydantoin derivative, 5a (CAS 1173680-35-7) is a chemical compound with molecular formula C18H16N2O4S and molecular weight 356.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10aS)-2-(4-methylphenyl)sulfonyl-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
Also Known As: Tetrahydroisoquinoline hydantoin derivative, 5a, (10aS)-2-[(4-methylphenyl)sulfonyl]-10,10a-dihydroimidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione, (S)-2-tosyl-10,10a-dihydroimidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione
| Molecular Formula | C18H16N2O4S |
|---|---|
| Molecular Weight | 356.08 g/mol |
| LogP | 2.07282 |
| Topological Polar Surface Area | 74.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 356.08307 |
| Heavy Atoms | 25 |
| Complexity | 939.39056 |
Chemical Identifiers
| CAS Number | 1173680-35-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C(=O)[C@@H]3CC4=CC=CC=C4CN3C2=O |
Product Overview
Tetrahydroisoquinoline hydantoin derivative, 5a (CAS 1173680-35-7), with molecular formula C18H16N2O4S and molecular weight 356.08 g/mol. IUPAC: (10aS)-2-(4-methylphenyl)sulfonyl-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione.
Chemical Property Profile of Tetrahydroisoquinoline hydantoin derivative, 5a
Property Insights of Tetrahydroisoquinoline hydantoin derivative, 5a
The XLogP value of 2.07282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetrahydroisoquinoline hydantoin derivative, 5a. The TPSA of 74.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Tetrahydroisoquinoline hydantoin derivative, 5a. Following Lipinski's Rule of Five, Tetrahydroisoquinoline hydantoin derivative, 5a has 0 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 Tetrahydroisoquinoline hydantoin derivative, 5a?
The CAS number of Tetrahydroisoquinoline hydantoin derivative, 5a is 1173680-35-7.
What is the molecular formula of Tetrahydroisoquinoline hydantoin derivative, 5a?
The molecular formula of Tetrahydroisoquinoline hydantoin derivative, 5a is C18H16N2O4S.
What is the molecular weight of Tetrahydroisoquinoline hydantoin derivative, 5a?
The molecular weight of Tetrahydroisoquinoline hydantoin derivative, 5a is 356.08 g/mol.
Where can I buy Tetrahydroisoquinoline hydantoin derivative, 5a?
You can request a quote for Tetrahydroisoquinoline hydantoin derivative, 5a directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrahydroisoquinoline hydantoin derivative, 5a?
Yes, KEHONG BIO provides custom synthesis services for Tetrahydroisoquinoline hydantoin derivative, 5a and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.