1,4-Benzenedisulfonic acid, 2,5-dichloro-3,6-dihydroxy-
TL;DR: 1,4-Benzenedisulfonic acid, 2,5-dichloro-3,6-dihydroxy- (CAS 77280-86-5) is a chemical compound with molecular formula C6H4Cl2O8S2 and molecular weight 337.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dichloro-3,6-dihydroxybenzene-1,4-disulfonic acid
Also Known As: 2,5-dichloro-3,6-dihydroxybenzene-1,4-disulfonic acid, 1,4-Benzenedisulfonic acid, 2,5-dichloro-3,6-dihydroxy-, 1,4-Benzenedisulfonicacid, 2,5-dichloro-3,6-dihydroxy-, 2,5-Dichloro-3,6-dihydroxy-1,4-benzenedisulfonic acid, 1,4-Benzenedisulfonicacid,2,5-dichloro-3,6-dihydroxy-
| Molecular Formula | C6H4Cl2O8S2 |
|---|---|
| Molecular Weight | 337.87 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 337.87247 |
| Heavy Atoms | 18 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 77280-86-5 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1Cl)S(=O)(=O)O)O)Cl)S(=O)(=O)O)O |
| InChIKey | QOYGERJDFMCSEA-UHFFFAOYSA-N |
Product Overview
1,4-Benzenedisulfonic acid, 2,5-dichloro-3,6-dihydroxy- (CAS 77280-86-5), with molecular formula C6H4Cl2O8S2 and molecular weight 337.87 g/mol. IUPAC: 2,5-dichloro-3,6-dihydroxybenzene-1,4-disulfonic acid.
Chemical Property Profile of 1,4-Benzenedisulfonic acid, 2,5-dichloro-3,6-dihydroxy-
Property Insights of 1,4-Benzenedisulfonic acid, 2,5-dichloro-3,6-dihydroxy-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Benzenedisulfonic acid, 2,5-dichloro-3,6-dihydroxy-. The TPSA of 166.0 Ų indicates high polarity, suggesting 1,4-Benzenedisulfonic acid, 2,5-dichloro-3,6-dihydroxy- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,4-Benzenedisulfonic acid, 2,5-dichloro-3,6-dihydroxy- has 4 hydrogen bond donor(s) and 8 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 1,4-Benzenedisulfonic acid, 2,5-dichloro-3,6-dihydroxy-?
The CAS number of 1,4-Benzenedisulfonic acid, 2,5-dichloro-3,6-dihydroxy- is 77280-86-5.
What is the molecular formula of 1,4-Benzenedisulfonic acid, 2,5-dichloro-3,6-dihydroxy-?
The molecular formula of 1,4-Benzenedisulfonic acid, 2,5-dichloro-3,6-dihydroxy- is C6H4Cl2O8S2.
What is the molecular weight of 1,4-Benzenedisulfonic acid, 2,5-dichloro-3,6-dihydroxy-?
The molecular weight of 1,4-Benzenedisulfonic acid, 2,5-dichloro-3,6-dihydroxy- is 337.87 g/mol.
Where can I buy 1,4-Benzenedisulfonic acid, 2,5-dichloro-3,6-dihydroxy-?
You can request a quote for 1,4-Benzenedisulfonic acid, 2,5-dichloro-3,6-dihydroxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzenedisulfonic acid, 2,5-dichloro-3,6-dihydroxy-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenedisulfonic acid, 2,5-dichloro-3,6-dihydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.