1H-1,4-Diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-3-methyl-
TL;DR: 1H-1,4-Diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-3-methyl- (CAS 105627-90-5) is a chemical compound with molecular formula C15H19N3O2S and molecular weight 305.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-methyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline
Also Known As: 1-(5-Isoquinolinesulfonyl)-3-methylhomopiperazine, J1.048.023J, 1H-1,4-Diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-3-methyl-, 5-[(3-methyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline, 5-(3-Methyl-1,4-diazepane-1-sulfonyl)isoquinoline
| Molecular Formula | C15H19N3O2S |
|---|---|
| Molecular Weight | 305.12 g/mol |
| LogP | 1.6073 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.1198 |
| Heavy Atoms | 21 |
| Complexity | 740.17206 |
Chemical Identifiers
| CAS Number | 105627-90-5 |
|---|---|
| SMILES | CC1CN(CCCN1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3 |
Product Overview
1H-1,4-Diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-3-methyl- (CAS 105627-90-5), with molecular formula C15H19N3O2S and molecular weight 305.12 g/mol. IUPAC: 5-[(3-methyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline.
Chemical Property Profile of 1H-1,4-Diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-3-methyl-
Property Insights of 1H-1,4-Diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-3-methyl-
The XLogP value of 1.6073 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,4-Diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-3-methyl-. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,4-Diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-3-methyl-. Following Lipinski's Rule of Five, 1H-1,4-Diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-3-methyl- has 1 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 1H-1,4-Diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-3-methyl-?
The CAS number of 1H-1,4-Diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-3-methyl- is 105627-90-5.
What is the molecular formula of 1H-1,4-Diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-3-methyl-?
The molecular formula of 1H-1,4-Diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-3-methyl- is C15H19N3O2S.
What is the molecular weight of 1H-1,4-Diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-3-methyl-?
The molecular weight of 1H-1,4-Diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-3-methyl- is 305.12 g/mol.
Where can I buy 1H-1,4-Diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-3-methyl-?
You can request a quote for 1H-1,4-Diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,4-Diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,4-Diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.