![N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-imino-2-oxo-7-(propan-2-yl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide structure](/static/products/858/858765-64-7.png)
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-imino-2-oxo-7-(propan-2-yl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
TL;DR: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-imino-2-oxo-7-(propan-2-yl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (CAS 858765-64-7) is a chemical compound with molecular formula C23H21N5O4 and molecular weight 431.16 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-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-imino-2-oxo-7-(propan-2-yl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide, N-(1,3-BENZODIOXOL-5-YLMETHYL)-2-IMINO-1-ISOPROPYL-5-OXO-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2',3'-D]PYRIMIDINE-3-CARBOXAMIDE, N-(1,3-benzodioxol-5-ylmethyl)-2-imino-5-oxo-1-(propan-2-yl)-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-isopropyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
| Molecular Formula | C23H21N5O4 |
|---|---|
| Molecular Weight | 431.16 g/mol |
| LogP | 2.36827 |
| Topological Polar Surface Area | 110.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.15936 |
| Heavy Atoms | 32 |
| Complexity | 1502.5608 |
Chemical Identifiers
| CAS Number | 858765-64-7 |
|---|---|
| SMILES | CC(C)N1C2=C(C=C(C1=N)C(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)N5C=CC=CC5=N2 |
Product Overview
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-imino-2-oxo-7-(propan-2-yl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (CAS 858765-64-7), with molecular formula C23H21N5O4 and molecular weight 431.16 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-6-imino-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-imino-2-oxo-7-(propan-2-yl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Property Insights of N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-imino-2-oxo-7-(propan-2-yl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
The XLogP value of 2.36827 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-imino-2-oxo-7-(propan-2-yl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide. The TPSA of 110.71 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-imino-2-oxo-7-(propan-2-yl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide. Following Lipinski's Rule of Five, N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-imino-2-oxo-7-(propan-2-yl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide has 2 hydrogen bond donor(s) and 6 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 N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-imino-2-oxo-7-(propan-2-yl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The CAS number of N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-imino-2-oxo-7-(propan-2-yl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide is 858765-64-7.
What is the molecular formula of N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-imino-2-oxo-7-(propan-2-yl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The molecular formula of N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-imino-2-oxo-7-(propan-2-yl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide is C23H21N5O4.
What is the molecular weight of N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-imino-2-oxo-7-(propan-2-yl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The molecular weight of N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-imino-2-oxo-7-(propan-2-yl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide is 431.16 g/mol.
Where can I buy N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-imino-2-oxo-7-(propan-2-yl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
You can request a quote for N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-imino-2-oxo-7-(propan-2-yl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-imino-2-oxo-7-(propan-2-yl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-imino-2-oxo-7-(propan-2-yl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.