2-Diisobutylaminopropionylamino-3H-4,5-dihydropyrido(2,3-e)-1,3,4-triazepin-5-one
TL;DR: 2-Diisobutylaminopropionylamino-3H-4,5-dihydropyrido(2,3-e)-1,3,4-triazepin-5-one (CAS 120873-32-7) is a chemical compound with molecular formula C18H28N6O2 and molecular weight 360.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[bis(2-methylpropyl)amino]-N-(5-oxo-3,4-dihydropyrido[2,3-e][1,2,4]triazepin-2-yl)propanamide
Also Known As: 2-Diisobutylaminopropionylamino-3H-4,5-dihydropyrido(2,3-e)-1,3,4-triazepin-5-one, Propanamide, 3-(bis(2-methylpropyl)amino)-N-(3,4-dihydro-5-oxo-5H-pyrido(2,3-e)(1,3,4)triazepin-2-yl)-, 3-[bis(2-methylpropyl)amino]-N-(5-oxo-3,4-dihydropyrido[2,3-e][1,2,4]triazepin-2-yl)propanamide, N~3~,N~3~-Bis(2-methylpropyl)-N-(5-oxo-4,5-dihydro-3H-pyrido[2,3-e][1,2,4]triazepin-2-yl)-beta-alaninamide, RefChem:374066
| Molecular Formula | C18H28N6O2 |
|---|---|
| Molecular Weight | 360.23 g/mol |
| LogP | 1.4374 |
| Topological Polar Surface Area | 98.72 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 360.2274 |
| Heavy Atoms | 26 |
| Complexity | 661.4001 |
Chemical Identifiers
| CAS Number | 120873-32-7 |
|---|---|
| SMILES | CC(C)CN(CCC(=O)NC1=NC2=C(C=CC=N2)C(=O)NN1)CC(C)C |
Product Overview
2-Diisobutylaminopropionylamino-3H-4,5-dihydropyrido(2,3-e)-1,3,4-triazepin-5-one (CAS 120873-32-7), with molecular formula C18H28N6O2 and molecular weight 360.23 g/mol. IUPAC: 3-[bis(2-methylpropyl)amino]-N-(5-oxo-3,4-dihydropyrido[2,3-e][1,2,4]triazepin-2-yl)propanamide.
Chemical Property Profile of 2-Diisobutylaminopropionylamino-3H-4,5-dihydropyrido(2,3-e)-1,3,4-triazepin-5-one
Property Insights of 2-Diisobutylaminopropionylamino-3H-4,5-dihydropyrido(2,3-e)-1,3,4-triazepin-5-one
The XLogP value of 1.4374 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Diisobutylaminopropionylamino-3H-4,5-dihydropyrido(2,3-e)-1,3,4-triazepin-5-one. The TPSA of 98.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Diisobutylaminopropionylamino-3H-4,5-dihydropyrido(2,3-e)-1,3,4-triazepin-5-one. Following Lipinski's Rule of Five, 2-Diisobutylaminopropionylamino-3H-4,5-dihydropyrido(2,3-e)-1,3,4-triazepin-5-one has 3 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 2-Diisobutylaminopropionylamino-3H-4,5-dihydropyrido(2,3-e)-1,3,4-triazepin-5-one?
The CAS number of 2-Diisobutylaminopropionylamino-3H-4,5-dihydropyrido(2,3-e)-1,3,4-triazepin-5-one is 120873-32-7.
What is the molecular formula of 2-Diisobutylaminopropionylamino-3H-4,5-dihydropyrido(2,3-e)-1,3,4-triazepin-5-one?
The molecular formula of 2-Diisobutylaminopropionylamino-3H-4,5-dihydropyrido(2,3-e)-1,3,4-triazepin-5-one is C18H28N6O2.
What is the molecular weight of 2-Diisobutylaminopropionylamino-3H-4,5-dihydropyrido(2,3-e)-1,3,4-triazepin-5-one?
The molecular weight of 2-Diisobutylaminopropionylamino-3H-4,5-dihydropyrido(2,3-e)-1,3,4-triazepin-5-one is 360.23 g/mol.
Where can I buy 2-Diisobutylaminopropionylamino-3H-4,5-dihydropyrido(2,3-e)-1,3,4-triazepin-5-one?
You can request a quote for 2-Diisobutylaminopropionylamino-3H-4,5-dihydropyrido(2,3-e)-1,3,4-triazepin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Diisobutylaminopropionylamino-3H-4,5-dihydropyrido(2,3-e)-1,3,4-triazepin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Diisobutylaminopropionylamino-3H-4,5-dihydropyrido(2,3-e)-1,3,4-triazepin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.