(1-(2-Pyridinylmethyl)-15-pyrrolidin-1-yl)acetonitrile benzenesulfonate
TL;DR: (1-(2-Pyridinylmethyl)-15-pyrrolidin-1-yl)acetonitrile benzenesulfonate (CAS 60032-56-6) is a chemical compound with molecular formula C18H21N3O3S and molecular weight 359.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzenesulfonate;2-[1-(pyridin-2-ylmethyl)pyrrolidin-1-ium-1-yl]acetonitrile
Also Known As: Benzenesulfonate, (1-(2-pyridinylmethyl)-15-pyrrolidin-1-yl)acetonitrile benzenesulfonate, 1-cyanomethyl-1-(2-picolyl)pyrrolidinium benzenesulfonate, benzenesulfonate,2-[1-(pyridin-2-ylmethyl)pyrrolidin-1-ium-1, 1-(Cyanomethyl)-1-[(pyridin-2-yl)methyl]pyrrolidin-1-ium benzenesulfonate
| Molecular Formula | C18H21N3O3S |
|---|---|
| Molecular Weight | 359.13 g/mol |
| LogP | 2.30648 |
| Topological Polar Surface Area | 93.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.13037 |
| Heavy Atoms | 25 |
| Complexity | 796.46484 |
Chemical Identifiers
| CAS Number | 60032-56-6 |
|---|---|
| SMILES | C1CC[N+](C1)(CC#N)CC2=CC=CC=N2.C1=CC=C(C=C1)S(=O)(=O)[O-] |
Product Overview
(1-(2-Pyridinylmethyl)-15-pyrrolidin-1-yl)acetonitrile benzenesulfonate (CAS 60032-56-6), with molecular formula C18H21N3O3S and molecular weight 359.13 g/mol. IUPAC: benzenesulfonate;2-[1-(pyridin-2-ylmethyl)pyrrolidin-1-ium-1-yl]acetonitrile.
Chemical Property Profile of (1-(2-Pyridinylmethyl)-15-pyrrolidin-1-yl)acetonitrile benzenesulfonate
Property Insights of (1-(2-Pyridinylmethyl)-15-pyrrolidin-1-yl)acetonitrile benzenesulfonate
The XLogP value of 2.30648 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-(2-Pyridinylmethyl)-15-pyrrolidin-1-yl)acetonitrile benzenesulfonate. The TPSA of 93.88 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-(2-Pyridinylmethyl)-15-pyrrolidin-1-yl)acetonitrile benzenesulfonate. Following Lipinski's Rule of Five, (1-(2-Pyridinylmethyl)-15-pyrrolidin-1-yl)acetonitrile benzenesulfonate has 0 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 (1-(2-Pyridinylmethyl)-15-pyrrolidin-1-yl)acetonitrile benzenesulfonate?
The CAS number of (1-(2-Pyridinylmethyl)-15-pyrrolidin-1-yl)acetonitrile benzenesulfonate is 60032-56-6.
What is the molecular formula of (1-(2-Pyridinylmethyl)-15-pyrrolidin-1-yl)acetonitrile benzenesulfonate?
The molecular formula of (1-(2-Pyridinylmethyl)-15-pyrrolidin-1-yl)acetonitrile benzenesulfonate is C18H21N3O3S.
What is the molecular weight of (1-(2-Pyridinylmethyl)-15-pyrrolidin-1-yl)acetonitrile benzenesulfonate?
The molecular weight of (1-(2-Pyridinylmethyl)-15-pyrrolidin-1-yl)acetonitrile benzenesulfonate is 359.13 g/mol.
Where can I buy (1-(2-Pyridinylmethyl)-15-pyrrolidin-1-yl)acetonitrile benzenesulfonate?
You can request a quote for (1-(2-Pyridinylmethyl)-15-pyrrolidin-1-yl)acetonitrile benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-(2-Pyridinylmethyl)-15-pyrrolidin-1-yl)acetonitrile benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (1-(2-Pyridinylmethyl)-15-pyrrolidin-1-yl)acetonitrile benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.