RefChem:313628
TL;DR: RefChem:313628 (CAS 897-44-9) is a chemical compound with molecular formula C16H21N3O2 and molecular weight 287.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[2-(dimethylamino)ethyl]-6-methoxy-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one
Also Known As: 3,4-Dihydro-9-(2-(dimethylamino)ethyl)-6-methoxy-9H-pyrido(3,4-b)indol-1(2H)-one, 1H-Pyrido(3,4-b)indol-1-one, 2,3,4,9-tetrahydro-9-(2-(dimethylamino)ethyl)-6-methoxy-, 9H-Pyrido(3,4-b)indol-1(2H)-one, 3,4-dihydro-9-(2-(dimethylamino)ethyl)-6-methoxy-, 9-[2-(dimethylamino)ethyl]-6-methoxy-2,3,4,9-tetrahydro-1h-, A-carbolin-1-one
| Molecular Formula | C16H21N3O2 |
|---|---|
| Molecular Weight | 287.16 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.1634 |
| Heavy Atoms | 21 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 897-44-9 |
|---|---|
| SMILES | CN(C)CCN1C2=C(C=C(C=C2)OC)C3=C1C(=O)NCC3 |
| InChIKey | VKHQSFIVMLHUDJ-UHFFFAOYSA-N |
Product Overview
RefChem:313628 (CAS 897-44-9), with molecular formula C16H21N3O2 and molecular weight 287.16 g/mol. IUPAC: 9-[2-(dimethylamino)ethyl]-6-methoxy-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one.
Chemical Property Profile of RefChem:313628
Property Insights of RefChem:313628
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:313628. With a topological polar surface area (TPSA) of 46.5 Ų, RefChem:313628 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:313628 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 RefChem:313628?
The CAS number of RefChem:313628 is 897-44-9.
What is the molecular formula of RefChem:313628?
The molecular formula of RefChem:313628 is C16H21N3O2.
What is the molecular weight of RefChem:313628?
The molecular weight of RefChem:313628 is 287.16 g/mol.
Where can I buy RefChem:313628?
You can request a quote for RefChem:313628 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:313628?
Yes, KEHONG BIO provides custom synthesis services for RefChem:313628 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.