4,6-Diaminobenzene-1,3-diol hydrochloride
TL;DR: 4,6-Diaminobenzene-1,3-diol hydrochloride (CAS 15791-87-4) is a chemical compound with molecular formula C6H9ClN2O2 and molecular weight 176.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-diaminobenzene-1,3-diol;hydrochloride
Also Known As: 4,6-diaminobenzene-1,3-diol hydrochloride, diaminoresorcinol hydrochloride, 4,6-Diaminoresorcinol dihydrochloride, 4,6-Diamino Resorcinol hydrochloride, trans-(4-Methyl-cyclohexyl)-aceticacid
| Molecular Formula | C6H9ClN2O2 |
|---|---|
| Molecular Weight | 176.04 g/mol |
| LogP | 0.684 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.03525 |
| Heavy Atoms | 11 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 15791-87-4 |
|---|---|
| SMILES | C1=C(C(=CC(=C1N)O)O)N.Cl |
| InChIKey | GAKFXHZPQGSWHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,6-Diaminobenzene-1,3-diol hydrochloride (CAS 15791-87-4), with molecular formula C6H9ClN2O2 and molecular weight 176.04 g/mol. IUPAC: 4,6-diaminobenzene-1,3-diol;hydrochloride.
Chemical Property Profile of 4,6-Diaminobenzene-1,3-diol hydrochloride
Property Insights of 4,6-Diaminobenzene-1,3-diol hydrochloride
The XLogP value of 0.684 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Diaminobenzene-1,3-diol hydrochloride. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Diaminobenzene-1,3-diol hydrochloride. Following Lipinski's Rule of Five, 4,6-Diaminobenzene-1,3-diol hydrochloride has 5 hydrogen bond donor(s) and 4 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 4,6-Diaminobenzene-1,3-diol hydrochloride?
The CAS number of 4,6-Diaminobenzene-1,3-diol hydrochloride is 15791-87-4.
What is the molecular formula of 4,6-Diaminobenzene-1,3-diol hydrochloride?
The molecular formula of 4,6-Diaminobenzene-1,3-diol hydrochloride is C6H9ClN2O2.
What is the molecular weight of 4,6-Diaminobenzene-1,3-diol hydrochloride?
The molecular weight of 4,6-Diaminobenzene-1,3-diol hydrochloride is 176.04 g/mol.
Where can I buy 4,6-Diaminobenzene-1,3-diol hydrochloride?
You can request a quote for 4,6-Diaminobenzene-1,3-diol hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Diaminobenzene-1,3-diol hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Diaminobenzene-1,3-diol hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.