Naphtho(2,1-f)pyrimido(1,6-d)(1,4)diazepin-1(11H)-one, 12,13-dihydro-3-((2,4,6-trimethylphenyl)amino)-, monohydrochloride
TL;DR: Naphtho(2,1-f)pyrimido(1,6-d)(1,4)diazepin-1(11H)-one, 12,13-dihydro-3-((2,4,6-trimethylphenyl)amino)-, monohydrochloride (CAS 108445-48-3) is a chemical compound with molecular formula C25H25ClN4O and molecular weight 432.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-hydroxy-N-(2,4,6-trimethylphenyl)-5,7,10-triazatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),3,5,8,12,14,16,18-octaen-8-amine;hydrochloride
Also Known As: Naphtho(2,1-f)pyrimido(1,6-d)(1,4)diazepin-1(11H)-one, 12,13-dihydro-3-((2,4,6-trimethylphenyl)amino)-, monohydrochloride, 3-(2,4,6-Trimethylanilino)naphtho[2,1-f]pyrimido[1,6-d][1,4]diazepin-1(8aH)-ol--hydrogen chloride (1/1), RefChem:365448
| Molecular Formula | C25H25ClN4O |
|---|---|
| Molecular Weight | 432.17 g/mol |
| LogP | 6.20576 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 432.1717 |
| Heavy Atoms | 31 |
| Complexity | 1224.4957 |
Chemical Identifiers
| CAS Number | 108445-48-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)NC2=CN(C3=C(C=CC4=CC=CC=C43)C5N2C=NC=C5)O)C.Cl |
Product Overview
Naphtho(2,1-f)pyrimido(1,6-d)(1,4)diazepin-1(11H)-one, 12,13-dihydro-3-((2,4,6-trimethylphenyl)amino)-, monohydrochloride (CAS 108445-48-3), with molecular formula C25H25ClN4O and molecular weight 432.17 g/mol. IUPAC: 10-hydroxy-N-(2,4,6-trimethylphenyl)-5,7,10-triazatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),3,5,8,12,14,16,18-octaen-8-amine;hydrochloride.
Chemical Property Profile of Naphtho(2,1-f)pyrimido(1,6-d)(1,4)diazepin-1(11H)-one, 12,13-dihydro-3-((2,4,6-trimethylphenyl)amino)-, monohydrochloride
Property Insights of Naphtho(2,1-f)pyrimido(1,6-d)(1,4)diazepin-1(11H)-one, 12,13-dihydro-3-((2,4,6-trimethylphenyl)amino)-, monohydrochloride
The XLogP value of 6.20576 indicates that Naphtho(2,1-f)pyrimido(1,6-d)(1,4)diazepin-1(11H)-one, 12,13-dihydro-3-((2,4,6-trimethylphenyl)amino)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.1 Ų, Naphtho(2,1-f)pyrimido(1,6-d)(1,4)diazepin-1(11H)-one, 12,13-dihydro-3-((2,4,6-trimethylphenyl)amino)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Naphtho(2,1-f)pyrimido(1,6-d)(1,4)diazepin-1(11H)-one, 12,13-dihydro-3-((2,4,6-trimethylphenyl)amino)-, monohydrochloride has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Naphtho(2,1-f)pyrimido(1,6-d)(1,4)diazepin-1(11H)-one, 12,13-dihydro-3-((2,4,6-trimethylphenyl)amino)-, monohydrochloride?
The CAS number of Naphtho(2,1-f)pyrimido(1,6-d)(1,4)diazepin-1(11H)-one, 12,13-dihydro-3-((2,4,6-trimethylphenyl)amino)-, monohydrochloride is 108445-48-3.
What is the molecular formula of Naphtho(2,1-f)pyrimido(1,6-d)(1,4)diazepin-1(11H)-one, 12,13-dihydro-3-((2,4,6-trimethylphenyl)amino)-, monohydrochloride?
The molecular formula of Naphtho(2,1-f)pyrimido(1,6-d)(1,4)diazepin-1(11H)-one, 12,13-dihydro-3-((2,4,6-trimethylphenyl)amino)-, monohydrochloride is C25H25ClN4O.
What is the molecular weight of Naphtho(2,1-f)pyrimido(1,6-d)(1,4)diazepin-1(11H)-one, 12,13-dihydro-3-((2,4,6-trimethylphenyl)amino)-, monohydrochloride?
The molecular weight of Naphtho(2,1-f)pyrimido(1,6-d)(1,4)diazepin-1(11H)-one, 12,13-dihydro-3-((2,4,6-trimethylphenyl)amino)-, monohydrochloride is 432.17 g/mol.
Where can I buy Naphtho(2,1-f)pyrimido(1,6-d)(1,4)diazepin-1(11H)-one, 12,13-dihydro-3-((2,4,6-trimethylphenyl)amino)-, monohydrochloride?
You can request a quote for Naphtho(2,1-f)pyrimido(1,6-d)(1,4)diazepin-1(11H)-one, 12,13-dihydro-3-((2,4,6-trimethylphenyl)amino)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Naphtho(2,1-f)pyrimido(1,6-d)(1,4)diazepin-1(11H)-one, 12,13-dihydro-3-((2,4,6-trimethylphenyl)amino)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Naphtho(2,1-f)pyrimido(1,6-d)(1,4)diazepin-1(11H)-one, 12,13-dihydro-3-((2,4,6-trimethylphenyl)amino)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.