AES16YJ8AM
TL;DR: AES16YJ8AM (CAS 81215-73-8) is a chemical compound with molecular formula C16H21N3O3 and molecular weight 303.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methoxypropyl)-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-dione
Also Known As: 3-(3-Methoxypropyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione, 3-(3-methoxypropyl)-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-dione, 3-(3-methoxypropyl)-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,, 3-(3-Methoxypropyl)-3,4,7,12-tetrahydro-1H-[1,2,5]triazepino[1,2-b]phthalazine-1,5(2H)-dione, 1H-(1,2,5)TRIAZEPINO(1,2-B)PHTHALAZINE-1,5(2H)-DIONE, 3,4,7,12-TETRAHYDRO-3-(3-METHOXYPROPYL)-
| Molecular Formula | C16H21N3O3 |
|---|---|
| Molecular Weight | 303.16 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.1583 |
| Heavy Atoms | 22 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 81215-73-8 |
|---|---|
| SMILES | COCCCN1CC(=O)N2CC3=CC=CC=C3CN2C(=O)C1 |
| InChIKey | BNFBKSOAJOKZBT-UHFFFAOYSA-N |
Product Overview
AES16YJ8AM (CAS 81215-73-8), with molecular formula C16H21N3O3 and molecular weight 303.16 g/mol. IUPAC: 3-(3-methoxypropyl)-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-dione.
Chemical Property Profile of AES16YJ8AM
Property Insights of AES16YJ8AM
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AES16YJ8AM. With a topological polar surface area (TPSA) of 53.1 Ų, AES16YJ8AM exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AES16YJ8AM 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 AES16YJ8AM?
The CAS number of AES16YJ8AM is 81215-73-8.
What is the molecular formula of AES16YJ8AM?
The molecular formula of AES16YJ8AM is C16H21N3O3.
What is the molecular weight of AES16YJ8AM?
The molecular weight of AES16YJ8AM is 303.16 g/mol.
Where can I buy AES16YJ8AM?
You can request a quote for AES16YJ8AM directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AES16YJ8AM?
Yes, KEHONG BIO provides custom synthesis services for AES16YJ8AM and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.