2-(Phenylamino)isoquinoline-1,3(2h,4h)-dione
TL;DR: 2-(Phenylamino)isoquinoline-1,3(2h,4h)-dione (CAS 22177-38-4) is a chemical compound with molecular formula C15H12N2O2 and molecular weight 252.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-anilino-4H-isoquinoline-1,3-dione
Also Known As: NCIOpen2_006746, 2-anilino-4H-isoquinoline-1,3-dione, 2-(phenylamino)isoquinoline-1,3(2h,4h)-dione, 2-Anilinoisoquinoline-1,3(2H,4H)-dione, 1,3(2H,4H)-Isoquinolinedione,2-(phenylamino)-
| Molecular Formula | C15H12N2O2 |
|---|---|
| Molecular Weight | 252.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.08987 |
| Heavy Atoms | 19 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 22177-38-4 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(=O)N(C1=O)NC3=CC=CC=C3 |
| InChIKey | DUSJLWDUCYEPPH-UHFFFAOYSA-N |
Product Overview
2-(Phenylamino)isoquinoline-1,3(2h,4h)-dione (CAS 22177-38-4), with molecular formula C15H12N2O2 and molecular weight 252.09 g/mol. IUPAC: 2-anilino-4H-isoquinoline-1,3-dione.
Chemical Property Profile of 2-(Phenylamino)isoquinoline-1,3(2h,4h)-dione
Property Insights of 2-(Phenylamino)isoquinoline-1,3(2h,4h)-dione
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Phenylamino)isoquinoline-1,3(2h,4h)-dione. With a topological polar surface area (TPSA) of 49.4 Ų, 2-(Phenylamino)isoquinoline-1,3(2h,4h)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Phenylamino)isoquinoline-1,3(2h,4h)-dione has 1 hydrogen bond donor(s) and 3 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 2-(Phenylamino)isoquinoline-1,3(2h,4h)-dione?
The CAS number of 2-(Phenylamino)isoquinoline-1,3(2h,4h)-dione is 22177-38-4.
What is the molecular formula of 2-(Phenylamino)isoquinoline-1,3(2h,4h)-dione?
The molecular formula of 2-(Phenylamino)isoquinoline-1,3(2h,4h)-dione is C15H12N2O2.
What is the molecular weight of 2-(Phenylamino)isoquinoline-1,3(2h,4h)-dione?
The molecular weight of 2-(Phenylamino)isoquinoline-1,3(2h,4h)-dione is 252.09 g/mol.
Where can I buy 2-(Phenylamino)isoquinoline-1,3(2h,4h)-dione?
You can request a quote for 2-(Phenylamino)isoquinoline-1,3(2h,4h)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Phenylamino)isoquinoline-1,3(2h,4h)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(Phenylamino)isoquinoline-1,3(2h,4h)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.