Opera_ID_401
TL;DR: Opera_ID_401 (CAS 1052413-26-9) is a chemical compound with molecular formula C19H28ClN3O4 and molecular weight 397.17682 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one;hydrochloride
Also Known As: 9-(3-(bis(2-hydroxyethyl)amino)-2-hydroxypropyl)-2-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one hydrochloride, 9-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one hydrochloride, 9-{3-[bis(2-hydroxyethyl)amino]-2-hydroxypropyl}-2-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one hydrochloride, Opera_ID_401
Technical Specifications
| Molecular Formula | C19H28ClN3O4 |
| Molecular Weight | 397.17682 g/mol |
| XLogP | 0.3387 |
| Topological Polar Surface Area (TPSA) | 89.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 397.17682 Da |
| Heavy Atoms | 27 |
| Complexity | 472.0 |
| SMILES | CN1CCC2=C(C1=O)N(C3=CC=CC=C23)CC(CN(CCO)CCO)O.Cl |
| InChIKey | KCUBTAWZIQBAKW-UHFFFAOYSA-N |
Chemical Property Profile of Opera_ID_401
Property Insights of Opera_ID_401
The XLogP value of 0.3387 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Opera_ID_401. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Opera_ID_401. Following Lipinski's Rule of Five, Opera_ID_401 has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Opera_ID_401?
The CAS number of Opera_ID_401 is 1052413-26-9.
What is the molecular formula of Opera_ID_401?
The molecular formula of Opera_ID_401 is C19H28ClN3O4.
What is the molecular weight of Opera_ID_401?
The molecular weight of Opera_ID_401 is 397.17682 g/mol.
Where can I buy Opera_ID_401?
You can request a quote for Opera_ID_401 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Opera_ID_401?
Yes, CoreyChem provides custom synthesis services for Opera_ID_401 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.