![6-imino-13-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-7-[3-(propan-2-yloxy)propyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide structure](/static/products/845/845633-76-3.png)
6-imino-13-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-7-[3-(propan-2-yloxy)propyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
TL;DR: 6-imino-13-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-7-[3-(propan-2-yloxy)propyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (CAS 845633-76-3) is a chemical compound with molecular formula C24H31N5O4 and molecular weight 453.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-13-methyl-2-oxo-N-(oxolan-2-ylmethyl)-7-(3-propan-2-yloxypropyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: 6-imino-13-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-7-[3-(propan-2-yloxy)propyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide, 2-azanylidene-8-methyl-5-oxidanylidene-N-(oxolan-2-ylmethyl)-1-(3-propan-2-yloxypropyl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carboxamide, 2-imino-1-(3-isopropoxypropyl)-5-keto-8-methyl-N-(tetrahydrofurfuryl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carboxamide, 2-imino-1-(3-isopropoxypropyl)-8-methyl-5-oxo-N-((tetrahydrofuran-2-yl)methyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, 2-IMINO-1-(3-ISOPROPOXYPROPYL)-8-METHYL-5-OXO-N-(TETRAHYDRO-2-FURANYLMETHYL)-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2',3'-D]PYRIMIDINE-3-CARBOXAMIDE
| Molecular Formula | C24H31N5O4 |
|---|---|
| Molecular Weight | 453.24 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 453.2376 |
| Heavy Atoms | 33 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 845633-76-3 |
|---|---|
| SMILES | CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3CCCOC(C)C)C(=O)NCC4CCCO4)C=C1 |
| InChIKey | MNSPARNEGJLODA-UHFFFAOYSA-N |
Product Overview
6-imino-13-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-7-[3-(propan-2-yloxy)propyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (CAS 845633-76-3), with molecular formula C24H31N5O4 and molecular weight 453.24 g/mol. IUPAC: 6-imino-13-methyl-2-oxo-N-(oxolan-2-ylmethyl)-7-(3-propan-2-yloxypropyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of 6-imino-13-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-7-[3-(propan-2-yloxy)propyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Property Insights of 6-imino-13-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-7-[3-(propan-2-yloxy)propyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-imino-13-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-7-[3-(propan-2-yloxy)propyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-imino-13-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-7-[3-(propan-2-yloxy)propyl]-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, 6-imino-13-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-7-[3-(propan-2-yloxy)propyl]-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 6-imino-13-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-7-[3-(propan-2-yloxy)propyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The CAS number of 6-imino-13-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-7-[3-(propan-2-yloxy)propyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide is 845633-76-3.
What is the molecular formula of 6-imino-13-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-7-[3-(propan-2-yloxy)propyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The molecular formula of 6-imino-13-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-7-[3-(propan-2-yloxy)propyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide is C24H31N5O4.
What is the molecular weight of 6-imino-13-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-7-[3-(propan-2-yloxy)propyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The molecular weight of 6-imino-13-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-7-[3-(propan-2-yloxy)propyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide is 453.24 g/mol.
Where can I buy 6-imino-13-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-7-[3-(propan-2-yloxy)propyl]-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 6-imino-13-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-7-[3-(propan-2-yloxy)propyl]-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 6-imino-13-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-7-[3-(propan-2-yloxy)propyl]-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 6-imino-13-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-7-[3-(propan-2-yloxy)propyl]-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.