Pyrimido(1,6-d)(1,4)benzodiazepin-4(6H)-one, 7,8-dihydro-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride
TL;DR: Pyrimido(1,6-d)(1,4)benzodiazepin-4(6H)-one, 7,8-dihydro-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride (CAS 108445-46-1) is a chemical compound with molecular formula C21H23ClN4O and molecular weight 382.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4,6-trimethylanilino)-7,8-dihydro-6H-pyrimido[1,6-d][1,4]benzodiazepin-4-one;hydrochloride
Also Known As: Pyrimido(1,6-d)(1,4)benzodiazepin-4(6H)-one, 7,8-dihydro-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, 2-(2,4,6-trimethylanilino)-7,8-dihydro-6H-pyrimido[1,6-d][1,4]benzodiazepin-4-one hydrochloride, 2-(2,4,6-Trimethylanilino)-7,8-dihydropyrimido[1,6-d][1,4]benzodiazepin-4(6H)-one--hydrogen chloride (1/1), RefChem:377736
| Molecular Formula | C21H23ClN4O |
|---|---|
| Molecular Weight | 382.16 g/mol |
| LogP | 4.42646 |
| Topological Polar Surface Area | 58.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 382.15604 |
| Heavy Atoms | 27 |
| Complexity | 1035.2826 |
Chemical Identifiers
| CAS Number | 108445-46-1 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)NC2=NC(=O)N3CCNC4=CC=CC=C4C3=C2)C.Cl |
Product Overview
Pyrimido(1,6-d)(1,4)benzodiazepin-4(6H)-one, 7,8-dihydro-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride (CAS 108445-46-1), with molecular formula C21H23ClN4O and molecular weight 382.16 g/mol. IUPAC: 2-(2,4,6-trimethylanilino)-7,8-dihydro-6H-pyrimido[1,6-d][1,4]benzodiazepin-4-one;hydrochloride.
Chemical Property Profile of Pyrimido(1,6-d)(1,4)benzodiazepin-4(6H)-one, 7,8-dihydro-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride
Property Insights of Pyrimido(1,6-d)(1,4)benzodiazepin-4(6H)-one, 7,8-dihydro-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride
The XLogP value of 4.42646 indicates that Pyrimido(1,6-d)(1,4)benzodiazepin-4(6H)-one, 7,8-dihydro-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.95 Ų, Pyrimido(1,6-d)(1,4)benzodiazepin-4(6H)-one, 7,8-dihydro-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrimido(1,6-d)(1,4)benzodiazepin-4(6H)-one, 7,8-dihydro-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride has 2 hydrogen bond donor(s) and 4 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 Pyrimido(1,6-d)(1,4)benzodiazepin-4(6H)-one, 7,8-dihydro-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride?
The CAS number of Pyrimido(1,6-d)(1,4)benzodiazepin-4(6H)-one, 7,8-dihydro-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride is 108445-46-1.
What is the molecular formula of Pyrimido(1,6-d)(1,4)benzodiazepin-4(6H)-one, 7,8-dihydro-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride?
The molecular formula of Pyrimido(1,6-d)(1,4)benzodiazepin-4(6H)-one, 7,8-dihydro-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride is C21H23ClN4O.
What is the molecular weight of Pyrimido(1,6-d)(1,4)benzodiazepin-4(6H)-one, 7,8-dihydro-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride?
The molecular weight of Pyrimido(1,6-d)(1,4)benzodiazepin-4(6H)-one, 7,8-dihydro-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride is 382.16 g/mol.
Where can I buy Pyrimido(1,6-d)(1,4)benzodiazepin-4(6H)-one, 7,8-dihydro-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride?
You can request a quote for Pyrimido(1,6-d)(1,4)benzodiazepin-4(6H)-one, 7,8-dihydro-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimido(1,6-d)(1,4)benzodiazepin-4(6H)-one, 7,8-dihydro-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Pyrimido(1,6-d)(1,4)benzodiazepin-4(6H)-one, 7,8-dihydro-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.