对甲苯胂酸
TL;DR: 对甲苯胂酸 (CAS 3969-54-8) is a chemical compound with molecular formula C7H9AsO3 and molecular weight 215.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对甲苯胂酸
(4-methylphenyl)arsonic acid
Also Known As: p-Toluenearsonic acid, Tolylarsonic acid, p-Tolylarsonic acid, 4-Tolylarsonic acid, P-Tolyl arsonic acid
| Molecular Formula | C7H9AsO3 |
|---|---|
| Molecular Weight | 215.98 g/mol |
| LogP | -0.44 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 215.97676 |
| Heavy Atoms | 11 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 3969-54-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)[As](=O)(O)O |
| InChIKey | GODGOGGXLHQPBK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对甲苯胂酸 (CAS 3969-54-8), with molecular formula C7H9AsO3 and molecular weight 215.98 g/mol. IUPAC: (4-methylphenyl)arsonic acid.
Chemical Property Profile of 对甲苯胂酸
Property Insights of 对甲苯胂酸
The XLogP value of -0.44 indicates that 对甲苯胂酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.5 Ų, 对甲苯胂酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 对甲苯胂酸 has 2 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 对甲苯胂酸?
The CAS number of 对甲苯胂酸 is 3969-54-8.
What is the molecular formula of 对甲苯胂酸?
The molecular formula of 对甲苯胂酸 is C7H9AsO3.
What is the molecular weight of 对甲苯胂酸?
The molecular weight of 对甲苯胂酸 is 215.98 g/mol.
Where can I buy 对甲苯胂酸?
You can request a quote for 对甲苯胂酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对甲苯胂酸?
Yes, KEHONG BIO provides custom synthesis services for 对甲苯胂酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.