4-氨基-5-甲基-1,3-苯二磺酸
TL;DR: 4-氨基-5-甲基-1,3-苯二磺酸 (CAS 68189-38-8) is a chemical compound with molecular formula C7H9NO6S2 and molecular weight 266.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氨基-5-甲基-1,3-苯二磺酸
4-amino-5-methylbenzene-1,3-disulfonic acid
Also Known As: 4-Amino-5-methylbenzene-1,3-disulfonic acid, 1,3-Benzenedisulfonic acid, 4-amino-5-methyl-, 2-Aminotoluene-3,5-disulphonic acid, 4-Amino-5-methyl-1,3-benzenedisulfonic acid, EINECS 269-196-5
| Molecular Formula | C7H9NO6S2 |
|---|---|
| Molecular Weight | 266.99 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.98712 |
| Heavy Atoms | 16 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 68189-38-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1N)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | KKBQCLVIBFUKGQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氨基-5-甲基-1,3-苯二磺酸 (CAS 68189-38-8), with molecular formula C7H9NO6S2 and molecular weight 266.99 g/mol. IUPAC: 4-amino-5-methylbenzene-1,3-disulfonic acid.
Chemical Property Profile of 4-氨基-5-甲基-1,3-苯二磺酸
Property Insights of 4-氨基-5-甲基-1,3-苯二磺酸
The XLogP value of -0.3 indicates that 4-氨基-5-甲基-1,3-苯二磺酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 152.0 Ų indicates high polarity, suggesting 4-氨基-5-甲基-1,3-苯二磺酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-氨基-5-甲基-1,3-苯二磺酸 has 3 hydrogen bond donor(s) and 7 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 4-氨基-5-甲基-1,3-苯二磺酸?
The CAS number of 4-氨基-5-甲基-1,3-苯二磺酸 is 68189-38-8.
What is the molecular formula of 4-氨基-5-甲基-1,3-苯二磺酸?
The molecular formula of 4-氨基-5-甲基-1,3-苯二磺酸 is C7H9NO6S2.
What is the molecular weight of 4-氨基-5-甲基-1,3-苯二磺酸?
The molecular weight of 4-氨基-5-甲基-1,3-苯二磺酸 is 266.99 g/mol.
Where can I buy 4-氨基-5-甲基-1,3-苯二磺酸?
You can request a quote for 4-氨基-5-甲基-1,3-苯二磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氨基-5-甲基-1,3-苯二磺酸?
Yes, KEHONG BIO provides custom synthesis services for 4-氨基-5-甲基-1,3-苯二磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.