2-Imino-1-(3-isopropoxy-propyl)-6-methyl-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carbox ylic acid cyclopentylamide
TL;DR: 2-Imino-1-(3-isopropoxy-propyl)-6-methyl-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carbox ylic acid cyclopentylamide (CAS 847048-14-0) is a chemical compound with molecular formula C24H31N5O3 and molecular weight 437.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclopentyl-6-imino-13-methyl-2-oxo-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: 2-Imino-1-(3-isopropoxy-propyl)-6-methyl-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carbox ylic acid cyclopentylamide, N-CYCLOPENTYL-2-IMINO-1-(3-ISOPROPOXYPROPYL)-8-METHYL-5-OXO-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2',3'-D]PYRIMIDINE-3-CARBOXAMIDE, N-cyclopentyl-2-imino-1-(3-isopropoxypropyl)-8-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, N-cyclopentyl-2-imino-8-methyl-5-oxo-1-[3-(propan-2-yloxy)propyl]-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
| Molecular Formula | C24H31N5O3 |
|---|---|
| Molecular Weight | 437.24 g/mol |
| LogP | 2.92459 |
| Topological Polar Surface Area | 101.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 437.24268 |
| Heavy Atoms | 32 |
| Complexity | 1268.5793 |
Chemical Identifiers
| CAS Number | 847048-14-0 |
|---|---|
| SMILES | CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3CCCOC(C)C)C(=O)NC4CCCC4)C=C1 |
Product Overview
2-Imino-1-(3-isopropoxy-propyl)-6-methyl-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carbox ylic acid cyclopentylamide (CAS 847048-14-0), with molecular formula C24H31N5O3 and molecular weight 437.24 g/mol. IUPAC: N-cyclopentyl-6-imino-13-methyl-2-oxo-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 2-Imino-1-(3-isopropoxy-propyl)-6-methyl-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carbox ylic acid cyclopentylamide
Property Insights of 2-Imino-1-(3-isopropoxy-propyl)-6-methyl-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carbox ylic acid cyclopentylamide
The XLogP value of 2.92459 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Imino-1-(3-isopropoxy-propyl)-6-methyl-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carbox ylic acid cyclopentylamide. The TPSA of 101.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Imino-1-(3-isopropoxy-propyl)-6-methyl-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carbox ylic acid cyclopentylamide. Following Lipinski's Rule of Five, 2-Imino-1-(3-isopropoxy-propyl)-6-methyl-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carbox ylic acid cyclopentylamide 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 2-Imino-1-(3-isopropoxy-propyl)-6-methyl-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carbox ylic acid cyclopentylamide?
The CAS number of 2-Imino-1-(3-isopropoxy-propyl)-6-methyl-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carbox ylic acid cyclopentylamide is 847048-14-0.
What is the molecular formula of 2-Imino-1-(3-isopropoxy-propyl)-6-methyl-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carbox ylic acid cyclopentylamide?
The molecular formula of 2-Imino-1-(3-isopropoxy-propyl)-6-methyl-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carbox ylic acid cyclopentylamide is C24H31N5O3.
What is the molecular weight of 2-Imino-1-(3-isopropoxy-propyl)-6-methyl-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carbox ylic acid cyclopentylamide?
The molecular weight of 2-Imino-1-(3-isopropoxy-propyl)-6-methyl-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carbox ylic acid cyclopentylamide is 437.24 g/mol.
Where can I buy 2-Imino-1-(3-isopropoxy-propyl)-6-methyl-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carbox ylic acid cyclopentylamide?
You can request a quote for 2-Imino-1-(3-isopropoxy-propyl)-6-methyl-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carbox ylic acid cyclopentylamide 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-isopropoxy-propyl)-6-methyl-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carbox ylic acid cyclopentylamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Imino-1-(3-isopropoxy-propyl)-6-methyl-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carbox ylic acid cyclopentylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.