Pyrimido(1,6-d)(1,4)benzodiazepin-4(3H)-one, 2,6,7,8-tetrahydro-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride
TL;DR: Pyrimido(1,6-d)(1,4)benzodiazepin-4(3H)-one, 2,6,7,8-tetrahydro-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride (CAS 108462-16-4) is a chemical compound with molecular formula C22H25ClN4O and molecular weight 396.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-(2,4,6-trimethylphenyl)imino-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(3H)-one, 2,6,7,8-tetrahydro-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, 3-Methyl-2-(2,4,6-trimethylanilino)-6,7-dihydropyrimido[1,6-d][1,4]benzodiazepin-4(3H)-one--hydrogen chloride (1/1), 3-methyl-2-(2,4,6-trimethylanilino)-6,7-dihydropyrimido[1,6-d][1,4]benzodiazepin-4-one hydrochloride
| Molecular Formula | C22H25ClN4O |
|---|---|
| Molecular Weight | 396.17 g/mol |
| LogP | 3.85876 |
| Topological Polar Surface Area | 51.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 396.1717 |
| Heavy Atoms | 28 |
| Complexity | 1150.8799 |
Chemical Identifiers
| CAS Number | 108462-16-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)N=C2C=C3C4=CC=CC=C4NCCN3C(=O)N2C)C.Cl |
Product Overview
Pyrimido(1,6-d)(1,4)benzodiazepin-4(3H)-one, 2,6,7,8-tetrahydro-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride (CAS 108462-16-4), with molecular formula C22H25ClN4O and molecular weight 396.17 g/mol. IUPAC: 3-methyl-2-(2,4,6-trimethylphenyl)imino-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(3H)-one, 2,6,7,8-tetrahydro-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride
Property Insights of Pyrimido(1,6-d)(1,4)benzodiazepin-4(3H)-one, 2,6,7,8-tetrahydro-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride
The XLogP value of 3.85876 indicates that Pyrimido(1,6-d)(1,4)benzodiazepin-4(3H)-one, 2,6,7,8-tetrahydro-3-methyl-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 51.32 Ų, Pyrimido(1,6-d)(1,4)benzodiazepin-4(3H)-one, 2,6,7,8-tetrahydro-3-methyl-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(3H)-one, 2,6,7,8-tetrahydro-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride has 1 hydrogen bond donor(s) and 3 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(3H)-one, 2,6,7,8-tetrahydro-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride?
The CAS number of Pyrimido(1,6-d)(1,4)benzodiazepin-4(3H)-one, 2,6,7,8-tetrahydro-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride is 108462-16-4.
What is the molecular formula of Pyrimido(1,6-d)(1,4)benzodiazepin-4(3H)-one, 2,6,7,8-tetrahydro-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride?
The molecular formula of Pyrimido(1,6-d)(1,4)benzodiazepin-4(3H)-one, 2,6,7,8-tetrahydro-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride is C22H25ClN4O.
What is the molecular weight of Pyrimido(1,6-d)(1,4)benzodiazepin-4(3H)-one, 2,6,7,8-tetrahydro-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride?
The molecular weight of Pyrimido(1,6-d)(1,4)benzodiazepin-4(3H)-one, 2,6,7,8-tetrahydro-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride is 396.17 g/mol.
Where can I buy Pyrimido(1,6-d)(1,4)benzodiazepin-4(3H)-one, 2,6,7,8-tetrahydro-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride?
You can request a quote for Pyrimido(1,6-d)(1,4)benzodiazepin-4(3H)-one, 2,6,7,8-tetrahydro-3-methyl-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(3H)-one, 2,6,7,8-tetrahydro-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Pyrimido(1,6-d)(1,4)benzodiazepin-4(3H)-one, 2,6,7,8-tetrahydro-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.