1-(5-iodonaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepine hydrochloride
TL;DR: 1-(5-iodonaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepine hydrochloride (CAS 110451-91-7) is a chemical compound with molecular formula C15H18ClIN2O2S and molecular weight 451.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-iodonaphthalen-1-yl)sulfonyl-1,4-diazepane;hydrochloride
Also Known As: ML-7 HYDROCHLORIDE, ML-7 HCl, ML 7 hydrochloride, 1-((5-Iodonaphthalen-1-yl)sulfonyl)-1,4-diazepane hydrochloride, ML-7, Hydrochloride
| Molecular Formula | C15H18ClIN2O2S |
|---|---|
| Molecular Weight | 451.98 g/mol |
| LogP | 2.8502 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 451.9822 |
| Heavy Atoms | 22 |
| Complexity | 759.22656 |
Chemical Identifiers
| CAS Number | 110451-91-7 |
|---|---|
| SMILES | C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CC=C3I.Cl |
Product Overview
1-(5-iodonaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepine hydrochloride (CAS 110451-91-7), with molecular formula C15H18ClIN2O2S and molecular weight 451.98 g/mol. IUPAC: 1-(5-iodonaphthalen-1-yl)sulfonyl-1,4-diazepane;hydrochloride.
Chemical Property Profile of 1-(5-iodonaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepine hydrochloride
Property Insights of 1-(5-iodonaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepine hydrochloride
The XLogP value of 2.8502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-iodonaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepine hydrochloride. With a topological polar surface area (TPSA) of 49.41 Ų, 1-(5-iodonaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-iodonaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepine hydrochloride 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 1-(5-iodonaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepine hydrochloride?
The CAS number of 1-(5-iodonaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepine hydrochloride is 110451-91-7.
What is the molecular formula of 1-(5-iodonaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepine hydrochloride?
The molecular formula of 1-(5-iodonaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepine hydrochloride is C15H18ClIN2O2S.
What is the molecular weight of 1-(5-iodonaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepine hydrochloride?
The molecular weight of 1-(5-iodonaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepine hydrochloride is 451.98 g/mol.
Where can I buy 1-(5-iodonaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepine hydrochloride?
You can request a quote for 1-(5-iodonaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-iodonaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-iodonaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.