![4-methylbenzenesulfonate;4-methylbenzenesulfonic acid;N'-[[4-[2-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)ethenyl]phenyl]methylideneamino]pyrrolidine-1-carboximidamide structure](/static/products/1235/123540-43-2.webp)
4-methylbenzenesulfonate;4-methylbenzenesulfonic acid;N'-[[4-[2-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)ethenyl]phenyl]methylideneamino]pyrrolidine-1-carboximidamide
TL;DR: 4-methylbenzenesulfonate;4-methylbenzenesulfonic acid;N'-[[4-[2-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)ethenyl]phenyl]methylideneamino]pyrrolidine-1-carboximidamide (CAS 123540-43-2) is a chemical compound with molecular formula C36H40N6O6S2 and molecular weight 716.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylbenzenesulfonate;4-methylbenzenesulfonic acid;N'-[[4-[2-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)ethenyl]phenyl]methylideneamino]pyrrolidine-1-carboximidamide
| Molecular Formula | C36H40N6O6S2 |
|---|---|
| Molecular Weight | 716.25 g/mol |
| LogP | 4.81944 |
| Topological Polar Surface Area | 191.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 716.24506 |
| Heavy Atoms | 50 |
| Complexity | 985.0 |
Chemical Identifiers
| CAS Number | 123540-43-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C2=CC=CC=[N+]2C=C1C=CC3=CC=C(C=C3)C=NN=C(N)N4CCCC4 |
| InChIKey | XYZMXSHPSCCLNU-UHFFFAOYSA-M |
Product Overview
4-methylbenzenesulfonate;4-methylbenzenesulfonic acid;N'-[[4-[2-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)ethenyl]phenyl]methylideneamino]pyrrolidine-1-carboximidamide (CAS 123540-43-2), with molecular formula C36H40N6O6S2 and molecular weight 716.25 g/mol. IUPAC: 4-methylbenzenesulfonate;4-methylbenzenesulfonic acid;N'-[[4-[2-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)ethenyl]phenyl]methylideneamino]pyrrolidine-1-carboximidamide.
Chemical Property Profile of 4-methylbenzenesulfonate;4-methylbenzenesulfonic acid;N'-[[4-[2-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)ethenyl]phenyl]methylideneamino]pyrrolidine-1-carboximidamide
Property Insights of 4-methylbenzenesulfonate;4-methylbenzenesulfonic acid;N'-[[4-[2-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)ethenyl]phenyl]methylideneamino]pyrrolidine-1-carboximidamide
The XLogP value of 4.81944 indicates that 4-methylbenzenesulfonate;4-methylbenzenesulfonic acid;N'-[[4-[2-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)ethenyl]phenyl]methylideneamino]pyrrolidine-1-carboximidamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 191.0 Ų indicates high polarity, suggesting 4-methylbenzenesulfonate;4-methylbenzenesulfonic acid;N'-[[4-[2-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)ethenyl]phenyl]methylideneamino]pyrrolidine-1-carboximidamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-methylbenzenesulfonate;4-methylbenzenesulfonic acid;N'-[[4-[2-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)ethenyl]phenyl]methylideneamino]pyrrolidine-1-carboximidamide has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-methylbenzenesulfonate;4-methylbenzenesulfonic acid;N'-[[4-[2-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)ethenyl]phenyl]methylideneamino]pyrrolidine-1-carboximidamide?
The CAS number of 4-methylbenzenesulfonate;4-methylbenzenesulfonic acid;N'-[[4-[2-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)ethenyl]phenyl]methylideneamino]pyrrolidine-1-carboximidamide is 123540-43-2.
What is the molecular formula of 4-methylbenzenesulfonate;4-methylbenzenesulfonic acid;N'-[[4-[2-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)ethenyl]phenyl]methylideneamino]pyrrolidine-1-carboximidamide?
The molecular formula of 4-methylbenzenesulfonate;4-methylbenzenesulfonic acid;N'-[[4-[2-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)ethenyl]phenyl]methylideneamino]pyrrolidine-1-carboximidamide is C36H40N6O6S2.
What is the molecular weight of 4-methylbenzenesulfonate;4-methylbenzenesulfonic acid;N'-[[4-[2-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)ethenyl]phenyl]methylideneamino]pyrrolidine-1-carboximidamide?
The molecular weight of 4-methylbenzenesulfonate;4-methylbenzenesulfonic acid;N'-[[4-[2-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)ethenyl]phenyl]methylideneamino]pyrrolidine-1-carboximidamide is 716.25 g/mol.
Where can I buy 4-methylbenzenesulfonate;4-methylbenzenesulfonic acid;N'-[[4-[2-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)ethenyl]phenyl]methylideneamino]pyrrolidine-1-carboximidamide?
You can request a quote for 4-methylbenzenesulfonate;4-methylbenzenesulfonic acid;N'-[[4-[2-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)ethenyl]phenyl]methylideneamino]pyrrolidine-1-carboximidamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methylbenzenesulfonate;4-methylbenzenesulfonic acid;N'-[[4-[2-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)ethenyl]phenyl]methylideneamino]pyrrolidine-1-carboximidamide?
Yes, KEHONG BIO provides custom synthesis services for 4-methylbenzenesulfonate;4-methylbenzenesulfonic acid;N'-[[4-[2-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)ethenyl]phenyl]methylideneamino]pyrrolidine-1-carboximidamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.