RefChem:862197
TL;DR: RefChem:862197 (CAS 3135-18-0) is a chemical compound with molecular formula C51H97O4P and molecular weight 804.71 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-ditert-butyl-4-(dioctadecoxyphosphorylmethyl)phenol
Also Known As: 2,6-ditert-butyl-4-(dioctadecoxyphosphorylmethyl)phenol, Phosphonic acid, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, dioctadecyl ester, dioctadecyl(3,5-di-tert-butyl-4-hydroxybenzyl)phosphonate, dioctadecyl [(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]phosphonate, Phosphonic acid, ((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)-, dioctadecyl ester
| Molecular Formula | C51H97O4P |
|---|---|
| Molecular Weight | 804.71 g/mol |
| LogP | 21.6 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 40 |
| Exact Mass | 804.71246 |
| Heavy Atoms | 56 |
| Complexity | 841.0 |
Chemical Identifiers
| CAS Number | 3135-18-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOP(=O)(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)OCCCCCCCCCCCCCCCCCC |
| InChIKey | SAJFQHPVIYPPEY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:862197 (CAS 3135-18-0), with molecular formula C51H97O4P and molecular weight 804.71 g/mol. IUPAC: 2,6-ditert-butyl-4-(dioctadecoxyphosphorylmethyl)phenol.
Chemical Property Profile of RefChem:862197
Property Insights of RefChem:862197
The XLogP value of 21.6 indicates that RefChem:862197 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, RefChem:862197 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:862197 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:862197?
The CAS number of RefChem:862197 is 3135-18-0.
What is the molecular formula of RefChem:862197?
The molecular formula of RefChem:862197 is C51H97O4P.
What is the molecular weight of RefChem:862197?
The molecular weight of RefChem:862197 is 804.71 g/mol.
Where can I buy RefChem:862197?
You can request a quote for RefChem:862197 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:862197?
Yes, KEHONG BIO provides custom synthesis services for RefChem:862197 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.