2-(3-Piperidinopropoxy)benzhydrol methyl toluenesulfonate
TL;DR: 2-(3-Piperidinopropoxy)benzhydrol methyl toluenesulfonate (CAS 67360-98-9) is a chemical compound with molecular formula C29H38NO5S+ and molecular weight 512.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylbenzenesulfonic acid;[2-[3-(1-methylpiperidin-1-ium-1-yl)propoxy]phenyl]-phenylmethanol
Also Known As: 2-(3-Piperidinopropoxy)benzhydrol methyl toluenesulfonate, Benzhydrol, 2-(3-piperidinopropoxy)-, methyl toluenesulfonate, Piperidinium, 1-(3-(2-(alpha-hydroxybenzyl)phenoxy)propyl)-1-methyl-, toluenesulfonate, 1-(3-(2-(alpha-Hydroxybenzyl)-phenoxy)propyl)-1-methylpiperidinium toluenesulfonate, 4-methylbenzenesulfonic acid; [2-[3-(1-methylpiperidin-1-ium-1-yl)propoxy]phenyl]-phenylmethanol
| Molecular Formula | C29H38NO5S+ |
|---|---|
| Molecular Weight | 512.25 g/mol |
| LogP | 5.40942 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 512.2471 |
| Heavy Atoms | 36 |
| Complexity | 1173.8011 |
Chemical Identifiers
| CAS Number | 67360-98-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C[N+]1(CCCCC1)CCCOC2=CC=CC=C2C(C3=CC=CC=C3)O |
Product Overview
2-(3-Piperidinopropoxy)benzhydrol methyl toluenesulfonate (CAS 67360-98-9), with molecular formula C29H38NO5S+ and molecular weight 512.25 g/mol. IUPAC: 4-methylbenzenesulfonic acid;[2-[3-(1-methylpiperidin-1-ium-1-yl)propoxy]phenyl]-phenylmethanol.
Chemical Property Profile of 2-(3-Piperidinopropoxy)benzhydrol methyl toluenesulfonate
Property Insights of 2-(3-Piperidinopropoxy)benzhydrol methyl toluenesulfonate
The XLogP value of 5.40942 indicates that 2-(3-Piperidinopropoxy)benzhydrol methyl toluenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Piperidinopropoxy)benzhydrol methyl toluenesulfonate. Following Lipinski's Rule of Five, 2-(3-Piperidinopropoxy)benzhydrol methyl toluenesulfonate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(3-Piperidinopropoxy)benzhydrol methyl toluenesulfonate?
The CAS number of 2-(3-Piperidinopropoxy)benzhydrol methyl toluenesulfonate is 67360-98-9.
What is the molecular formula of 2-(3-Piperidinopropoxy)benzhydrol methyl toluenesulfonate?
The molecular formula of 2-(3-Piperidinopropoxy)benzhydrol methyl toluenesulfonate is C29H38NO5S+.
What is the molecular weight of 2-(3-Piperidinopropoxy)benzhydrol methyl toluenesulfonate?
The molecular weight of 2-(3-Piperidinopropoxy)benzhydrol methyl toluenesulfonate is 512.25 g/mol.
Where can I buy 2-(3-Piperidinopropoxy)benzhydrol methyl toluenesulfonate?
You can request a quote for 2-(3-Piperidinopropoxy)benzhydrol methyl toluenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Piperidinopropoxy)benzhydrol methyl toluenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Piperidinopropoxy)benzhydrol methyl toluenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.