3,7-Diazabicyclo(3.3.1)nonane, 3-benzyl-7-methyl-, methane sulfonate
TL;DR: 3,7-Diazabicyclo(3.3.1)nonane, 3-benzyl-7-methyl-, methane sulfonate (CAS 73825-79-3) is a chemical compound with molecular formula C16H28N2O3S and molecular weight 328.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-7-methyl-3-aza-7-azoniabicyclo[3.3.1]nonane;dihydroxy-methyl-oxido-λ4-sulfane
Also Known As: 3-Benzyl-7-methylbispidine methane sulfonate, 3-Benzyl-7-methyl-3,7-diazabicyclo(3.3.1)nonane methane sulfonate, 3,7-DIAZABICYCLO(3.3.1)NONANE, 3-BENZYL-7-METHYL-, METHANE SULFONATE, 3,7-Diazabicyclo[3.3.1]nonane, 3-methyl-7-(phenylmethyl)-, monomethanesulfonate, 3-benzyl-7-methyl-3-aza-7-azoniabicyclo[3.3.1]nonane; dihydroxy-methyl-oxido-
| Molecular Formula | C16H28N2O3S |
|---|---|
| Molecular Weight | 328.18 g/mol |
| LogP | 1.15 |
| Topological Polar Surface Area | 72.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.18207 |
| Heavy Atoms | 22 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 73825-79-3 |
|---|---|
| SMILES | C[NH+]1CC2CC(C1)CN(C2)CC3=CC=CC=C3.CS(O)(O)[O-] |
| InChIKey | MUGSCPNIHZLPNK-UHFFFAOYSA-N |
Product Overview
3,7-Diazabicyclo(3.3.1)nonane, 3-benzyl-7-methyl-, methane sulfonate (CAS 73825-79-3), with molecular formula C16H28N2O3S and molecular weight 328.18 g/mol. IUPAC: 3-benzyl-7-methyl-3-aza-7-azoniabicyclo[3.3.1]nonane;dihydroxy-methyl-oxido-λ4-sulfane.
Chemical Property Profile of 3,7-Diazabicyclo(3.3.1)nonane, 3-benzyl-7-methyl-, methane sulfonate
Property Insights of 3,7-Diazabicyclo(3.3.1)nonane, 3-benzyl-7-methyl-, methane sulfonate
The XLogP value of 1.15 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Diazabicyclo(3.3.1)nonane, 3-benzyl-7-methyl-, methane sulfonate. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-Diazabicyclo(3.3.1)nonane, 3-benzyl-7-methyl-, methane sulfonate. Following Lipinski's Rule of Five, 3,7-Diazabicyclo(3.3.1)nonane, 3-benzyl-7-methyl-, methane sulfonate has 3 hydrogen bond donor(s) and 5 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 3,7-Diazabicyclo(3.3.1)nonane, 3-benzyl-7-methyl-, methane sulfonate?
The CAS number of 3,7-Diazabicyclo(3.3.1)nonane, 3-benzyl-7-methyl-, methane sulfonate is 73825-79-3.
What is the molecular formula of 3,7-Diazabicyclo(3.3.1)nonane, 3-benzyl-7-methyl-, methane sulfonate?
The molecular formula of 3,7-Diazabicyclo(3.3.1)nonane, 3-benzyl-7-methyl-, methane sulfonate is C16H28N2O3S.
What is the molecular weight of 3,7-Diazabicyclo(3.3.1)nonane, 3-benzyl-7-methyl-, methane sulfonate?
The molecular weight of 3,7-Diazabicyclo(3.3.1)nonane, 3-benzyl-7-methyl-, methane sulfonate is 328.18 g/mol.
Where can I buy 3,7-Diazabicyclo(3.3.1)nonane, 3-benzyl-7-methyl-, methane sulfonate?
You can request a quote for 3,7-Diazabicyclo(3.3.1)nonane, 3-benzyl-7-methyl-, methane sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Diazabicyclo(3.3.1)nonane, 3-benzyl-7-methyl-, methane sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Diazabicyclo(3.3.1)nonane, 3-benzyl-7-methyl-, methane sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.