![5-{2-[(1,3-benzodioxol-5-ylmethyl)amino]acetyl}-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one structure](/static/products/866/866156-80-1.png)
5-{2-[(1,3-benzodioxol-5-ylmethyl)amino]acetyl}-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
TL;DR: 5-{2-[(1,3-benzodioxol-5-ylmethyl)amino]acetyl}-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one (CAS 866156-80-1) is a chemical compound with molecular formula C20H21N3O4 and molecular weight 367.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(1,3-benzodioxol-5-ylmethylamino)acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
Also Known As: 5-{2-[(1,3-benzodioxol-5-ylmethyl)amino]acetyl}-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 5-[2-(1,3-benzodioxol-5-ylmethylamino)acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one, 5-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}acetyl)-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one
| Molecular Formula | C20H21N3O4 |
|---|---|
| Molecular Weight | 367.15 g/mol |
| LogP | 2.2688 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.1532 |
| Heavy Atoms | 27 |
| Complexity | 883.2806 |
Chemical Identifiers
| CAS Number | 866156-80-1 |
|---|---|
| SMILES | CC1CC(=O)NC2=CC=CC=C2N1C(=O)CNCC3=CC4=C(C=C3)OCO4 |
Product Overview
5-{2-[(1,3-benzodioxol-5-ylmethyl)amino]acetyl}-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one (CAS 866156-80-1), with molecular formula C20H21N3O4 and molecular weight 367.15 g/mol. IUPAC: 5-[2-(1,3-benzodioxol-5-ylmethylamino)acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one.
Chemical Property Profile of 5-{2-[(1,3-benzodioxol-5-ylmethyl)amino]acetyl}-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
Property Insights of 5-{2-[(1,3-benzodioxol-5-ylmethyl)amino]acetyl}-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
The XLogP value of 2.2688 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-{2-[(1,3-benzodioxol-5-ylmethyl)amino]acetyl}-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{2-[(1,3-benzodioxol-5-ylmethyl)amino]acetyl}-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one. Following Lipinski's Rule of Five, 5-{2-[(1,3-benzodioxol-5-ylmethyl)amino]acetyl}-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one has 2 hydrogen bond donor(s) and 5 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 5-{2-[(1,3-benzodioxol-5-ylmethyl)amino]acetyl}-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
The CAS number of 5-{2-[(1,3-benzodioxol-5-ylmethyl)amino]acetyl}-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one is 866156-80-1.
What is the molecular formula of 5-{2-[(1,3-benzodioxol-5-ylmethyl)amino]acetyl}-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
The molecular formula of 5-{2-[(1,3-benzodioxol-5-ylmethyl)amino]acetyl}-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one is C20H21N3O4.
What is the molecular weight of 5-{2-[(1,3-benzodioxol-5-ylmethyl)amino]acetyl}-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
The molecular weight of 5-{2-[(1,3-benzodioxol-5-ylmethyl)amino]acetyl}-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one is 367.15 g/mol.
Where can I buy 5-{2-[(1,3-benzodioxol-5-ylmethyl)amino]acetyl}-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
You can request a quote for 5-{2-[(1,3-benzodioxol-5-ylmethyl)amino]acetyl}-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{2-[(1,3-benzodioxol-5-ylmethyl)amino]acetyl}-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-{2-[(1,3-benzodioxol-5-ylmethyl)amino]acetyl}-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.