Phenol, (1-methylhexyl)-, 1,1'-(hydrogen phosphorodithioate)
TL;DR: Phenol, (1-methylhexyl)-, 1,1'-(hydrogen phosphorodithioate) (CAS 84540-76-1) is a chemical compound with molecular formula C26H39O2PS2 and molecular weight 478.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(2R)-heptan-2-yl]phenoxy]-[4-[(2R)-heptan-2-yl]phenoxy]-sulfanyl-sulfanylidene-λ5-phosphane
Also Known As: O,O'-Di(heptylphenyl)phosphorodithioic acid, Phenol, (1-methylhexyl)-, hydrogen phosphorodithioate, Phenol, (1-methylhexyl)-, 1,1'-(hydrogen phosphorodithioate), [3-[(2R)-heptan-2-yl]phenoxy]-[4-[(2R)-heptan-2-yl]phenoxy]-sulfanyl-sulfanylidene-, RefChem:172717
| Molecular Formula | C26H39O2PS2 |
|---|---|
| Molecular Weight | 478.21 g/mol |
| LogP | 9.6663 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 478.21292 |
| Heavy Atoms | 31 |
| Complexity | 822.4116 |
Chemical Identifiers
| CAS Number | 84540-76-1 |
|---|---|
| SMILES | CCCCC[C@@H](C)C1=CC=C(C=C1)OP(=S)(OC2=CC=CC(=C2)[C@H](C)CCCCC)S |
Product Overview
Phenol, (1-methylhexyl)-, 1,1'-(hydrogen phosphorodithioate) (CAS 84540-76-1), with molecular formula C26H39O2PS2 and molecular weight 478.21 g/mol. IUPAC: [3-[(2R)-heptan-2-yl]phenoxy]-[4-[(2R)-heptan-2-yl]phenoxy]-sulfanyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phenol, (1-methylhexyl)-, 1,1'-(hydrogen phosphorodithioate)
Property Insights of Phenol, (1-methylhexyl)-, 1,1'-(hydrogen phosphorodithioate)
The XLogP value of 9.6663 indicates that Phenol, (1-methylhexyl)-, 1,1'-(hydrogen phosphorodithioate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.46 Ų, Phenol, (1-methylhexyl)-, 1,1'-(hydrogen phosphorodithioate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, (1-methylhexyl)-, 1,1'-(hydrogen phosphorodithioate) has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenol, (1-methylhexyl)-, 1,1'-(hydrogen phosphorodithioate)?
The CAS number of Phenol, (1-methylhexyl)-, 1,1'-(hydrogen phosphorodithioate) is 84540-76-1.
What is the molecular formula of Phenol, (1-methylhexyl)-, 1,1'-(hydrogen phosphorodithioate)?
The molecular formula of Phenol, (1-methylhexyl)-, 1,1'-(hydrogen phosphorodithioate) is C26H39O2PS2.
What is the molecular weight of Phenol, (1-methylhexyl)-, 1,1'-(hydrogen phosphorodithioate)?
The molecular weight of Phenol, (1-methylhexyl)-, 1,1'-(hydrogen phosphorodithioate) is 478.21 g/mol.
Where can I buy Phenol, (1-methylhexyl)-, 1,1'-(hydrogen phosphorodithioate)?
You can request a quote for Phenol, (1-methylhexyl)-, 1,1'-(hydrogen phosphorodithioate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, (1-methylhexyl)-, 1,1'-(hydrogen phosphorodithioate)?
Yes, KEHONG BIO provides custom synthesis services for Phenol, (1-methylhexyl)-, 1,1'-(hydrogen phosphorodithioate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.