RSB9OHY4KU
TL;DR: RSB9OHY4KU (CAS 81215-67-0) is a chemical compound with molecular formula C20H21N3O2 and molecular weight 335.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methylphenyl)methyl]-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-dione
Also Known As: 3-(4-Methylbenzyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione, 3,4,7,12-Tetrahydro-3-((4-methylphenyl)methyl)-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione, 3-[(4-methylphenyl)methyl]-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-dione, 3-(p-tolylmethyl)-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-dione, 1H-(1,2,5)TRIAZEPINO(1,2-B)PHTHALAZINE-1,5(2H)-DIONE, 3,4,7,12-TETRAHYDRO-3-((4-METHYLPHENYL)METHYL)-
| Molecular Formula | C20H21N3O2 |
|---|---|
| Molecular Weight | 335.16 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 43.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 335.1634 |
| Heavy Atoms | 25 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 81215-67-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2CC(=O)N3CC4=CC=CC=C4CN3C(=O)C2 |
| InChIKey | JVLJUKYMUZQJRB-UHFFFAOYSA-N |
Product Overview
RSB9OHY4KU (CAS 81215-67-0), with molecular formula C20H21N3O2 and molecular weight 335.16 g/mol. IUPAC: 3-[(4-methylphenyl)methyl]-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-dione.
Chemical Property Profile of RSB9OHY4KU
Property Insights of RSB9OHY4KU
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RSB9OHY4KU. With a topological polar surface area (TPSA) of 43.9 Ų, RSB9OHY4KU exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RSB9OHY4KU has 0 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 RSB9OHY4KU?
The CAS number of RSB9OHY4KU is 81215-67-0.
What is the molecular formula of RSB9OHY4KU?
The molecular formula of RSB9OHY4KU is C20H21N3O2.
What is the molecular weight of RSB9OHY4KU?
The molecular weight of RSB9OHY4KU is 335.16 g/mol.
Where can I buy RSB9OHY4KU?
You can request a quote for RSB9OHY4KU directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RSB9OHY4KU?
Yes, KEHONG BIO provides custom synthesis services for RSB9OHY4KU and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.