![2-Imino-1-(3-morpholin-4-yl-propyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide structure](/static/products/848/848216-99-9.png)
2-Imino-1-(3-morpholin-4-yl-propyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide
TL;DR: 2-Imino-1-(3-morpholin-4-yl-propyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide (CAS 848216-99-9) is a chemical compound with molecular formula C27H28N6O5 and molecular weight 516.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-6-imino-7-(3-morpholin-4-ylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: 2-Imino-1-(3-morpholin-4-yl-propyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide, 2-Imino-1-(3-morpholin-4-yl-propyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide, N-(1,3-benzodioxol-5-ylmethyl)-2-imino-1-[3-(morpholin-4-yl)propyl]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-imino-1-(3-morpholinopropyl)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
| Molecular Formula | C27H28N6O5 |
|---|---|
| Molecular Weight | 516.21 g/mol |
| LogP | 1.50967 |
| Topological Polar Surface Area | 123.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 516.2121 |
| Heavy Atoms | 38 |
| Complexity | 1639.3821 |
Chemical Identifiers
| CAS Number | 848216-99-9 |
|---|---|
| SMILES | C1COCCN1CCCN2C3=C(C=C(C2=N)C(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)N6C=CC=CC6=N3 |
Product Overview
2-Imino-1-(3-morpholin-4-yl-propyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide (CAS 848216-99-9), with molecular formula C27H28N6O5 and molecular weight 516.21 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-6-imino-7-(3-morpholin-4-ylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of 2-Imino-1-(3-morpholin-4-yl-propyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide
Property Insights of 2-Imino-1-(3-morpholin-4-yl-propyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide
The XLogP value of 1.50967 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Imino-1-(3-morpholin-4-yl-propyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide. The TPSA of 123.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Imino-1-(3-morpholin-4-yl-propyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide. Following Lipinski's Rule of Five, 2-Imino-1-(3-morpholin-4-yl-propyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Imino-1-(3-morpholin-4-yl-propyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide?
The CAS number of 2-Imino-1-(3-morpholin-4-yl-propyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide is 848216-99-9.
What is the molecular formula of 2-Imino-1-(3-morpholin-4-yl-propyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide?
The molecular formula of 2-Imino-1-(3-morpholin-4-yl-propyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide is C27H28N6O5.
What is the molecular weight of 2-Imino-1-(3-morpholin-4-yl-propyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide?
The molecular weight of 2-Imino-1-(3-morpholin-4-yl-propyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide is 516.21 g/mol.
Where can I buy 2-Imino-1-(3-morpholin-4-yl-propyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide?
You can request a quote for 2-Imino-1-(3-morpholin-4-yl-propyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Imino-1-(3-morpholin-4-yl-propyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide?
Yes, KEHONG BIO provides custom synthesis services for 2-Imino-1-(3-morpholin-4-yl-propyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.