Quinazolinium, 6-chloro-3-hydroxy-2-((4-methyl-1-piperazinyl)methyl)-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, chloride, monohydrochloride, hydrate
TL;DR: Quinazolinium, 6-chloro-3-hydroxy-2-((4-methyl-1-piperazinyl)methyl)-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, chloride, monohydrochloride, hydrate (CAS 74422-39-2) is a chemical compound with molecular formula C25H31Cl3N4O and molecular weight 508.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)quinazolin-3-ium;chloride;hydrochloride
Also Known As: Quinazolinium, 6-chloro-3-hydroxy-2-((4-methyl-1-piperazinyl)methyl)-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, chloride, monohydrochloride, hydrate, 6-Chloro-3-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)quinazolin-3-ium chloride--hydrogen chloride (1/1/1), 6-chloro-3-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)quinazolin-3-ium chloride hydrochloride, 6-chloro-3-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)quinazolin-3-ium,chloride,hydrochloride
| Molecular Formula | C25H31Cl3N4O |
|---|---|
| Molecular Weight | 508.16 g/mol |
| LogP | 1.5221 |
| Topological Polar Surface Area | 43.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 508.15634 |
| Heavy Atoms | 33 |
| Complexity | 1116.4926 |
Chemical Identifiers
| CAS Number | 74422-39-2 |
|---|---|
| SMILES | CN1CCN(CC1)CC2=NC3=C(C=C(C=C3)Cl)C(=[N+]2O)C4=CC5=C(CCCCC5)C=C4.Cl.[Cl-] |
Product Overview
Quinazolinium, 6-chloro-3-hydroxy-2-((4-methyl-1-piperazinyl)methyl)-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, chloride, monohydrochloride, hydrate (CAS 74422-39-2), with molecular formula C25H31Cl3N4O and molecular weight 508.16 g/mol. IUPAC: 6-chloro-3-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)quinazolin-3-ium;chloride;hydrochloride.
Chemical Property Profile of Quinazolinium, 6-chloro-3-hydroxy-2-((4-methyl-1-piperazinyl)methyl)-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, chloride, monohydrochloride, hydrate
Property Insights of Quinazolinium, 6-chloro-3-hydroxy-2-((4-methyl-1-piperazinyl)methyl)-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, chloride, monohydrochloride, hydrate
The XLogP value of 1.5221 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinazolinium, 6-chloro-3-hydroxy-2-((4-methyl-1-piperazinyl)methyl)-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, chloride, monohydrochloride, hydrate. With a topological polar surface area (TPSA) of 43.48 Ų, Quinazolinium, 6-chloro-3-hydroxy-2-((4-methyl-1-piperazinyl)methyl)-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, chloride, monohydrochloride, hydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinazolinium, 6-chloro-3-hydroxy-2-((4-methyl-1-piperazinyl)methyl)-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, chloride, monohydrochloride, hydrate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Quinazolinium, 6-chloro-3-hydroxy-2-((4-methyl-1-piperazinyl)methyl)-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, chloride, monohydrochloride, hydrate?
The CAS number of Quinazolinium, 6-chloro-3-hydroxy-2-((4-methyl-1-piperazinyl)methyl)-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, chloride, monohydrochloride, hydrate is 74422-39-2.
What is the molecular formula of Quinazolinium, 6-chloro-3-hydroxy-2-((4-methyl-1-piperazinyl)methyl)-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, chloride, monohydrochloride, hydrate?
The molecular formula of Quinazolinium, 6-chloro-3-hydroxy-2-((4-methyl-1-piperazinyl)methyl)-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, chloride, monohydrochloride, hydrate is C25H31Cl3N4O.
What is the molecular weight of Quinazolinium, 6-chloro-3-hydroxy-2-((4-methyl-1-piperazinyl)methyl)-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, chloride, monohydrochloride, hydrate?
The molecular weight of Quinazolinium, 6-chloro-3-hydroxy-2-((4-methyl-1-piperazinyl)methyl)-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, chloride, monohydrochloride, hydrate is 508.16 g/mol.
Where can I buy Quinazolinium, 6-chloro-3-hydroxy-2-((4-methyl-1-piperazinyl)methyl)-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, chloride, monohydrochloride, hydrate?
You can request a quote for Quinazolinium, 6-chloro-3-hydroxy-2-((4-methyl-1-piperazinyl)methyl)-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, chloride, monohydrochloride, hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinazolinium, 6-chloro-3-hydroxy-2-((4-methyl-1-piperazinyl)methyl)-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, chloride, monohydrochloride, hydrate?
Yes, KEHONG BIO provides custom synthesis services for Quinazolinium, 6-chloro-3-hydroxy-2-((4-methyl-1-piperazinyl)methyl)-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, chloride, monohydrochloride, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.