Hexachlorophene disodium
TL;DR: Hexachlorophene disodium (CAS 3247-34-5) is a chemical compound with molecular formula C13H4Cl6Na2O2 and molecular weight 447.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;3,4,6-trichloro-2-[(2,3,5-trichloro-6-oxidophenyl)methyl]phenolate
Also Known As: Hexachlorophene sodium, Hexachlorophene disodium, Isobac, Isobac 20, Caswell No. 566A
| Molecular Formula | C13H4Cl6Na2O2 |
|---|---|
| Molecular Weight | 447.81 g/mol |
| LogP | -0.65 |
| Topological Polar Surface Area | 46.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 449.81082 |
| Heavy Atoms | 23 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 3247-34-5 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)[O-])[O-])Cl.[Na+].[Na+] |
| InChIKey | UQWJZQUQIILWBP-UHFFFAOYSA-L |
Product Overview
Hexachlorophene disodium (CAS 3247-34-5), with molecular formula C13H4Cl6Na2O2 and molecular weight 447.81 g/mol. IUPAC: disodium;3,4,6-trichloro-2-[(2,3,5-trichloro-6-oxidophenyl)methyl]phenolate.
Chemical Property Profile of Hexachlorophene disodium
Property Insights of Hexachlorophene disodium
The XLogP value of -0.65 indicates that Hexachlorophene disodium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.1 Ų, Hexachlorophene disodium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexachlorophene disodium has 0 hydrogen bond donor(s) and 2 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 Hexachlorophene disodium?
The CAS number of Hexachlorophene disodium is 3247-34-5.
What is the molecular formula of Hexachlorophene disodium?
The molecular formula of Hexachlorophene disodium is C13H4Cl6Na2O2.
What is the molecular weight of Hexachlorophene disodium?
The molecular weight of Hexachlorophene disodium is 447.81 g/mol.
Where can I buy Hexachlorophene disodium?
You can request a quote for Hexachlorophene disodium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexachlorophene disodium?
Yes, KEHONG BIO provides custom synthesis services for Hexachlorophene disodium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.