RefChem:1059663
TL;DR: RefChem:1059663 (CAS 106396-29-6) is a chemical compound with molecular formula C29H43O4P and molecular weight 486.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,7,9-tetratert-butyl-11-hydroxy-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide
Also Known As: J1.941.738G, Phosphoric acid 2,2 -methylenebis(4,6-di-tert-butylphenyl) ester, Phosphoric acid 2,2'-methylenebis(4,6-di-tert-butylphenyl) ester, Phosphoric acid methylenebis(3,5-di-tert-butyl-1,2-phenylene) ester, 1,3,7,9-tetratert-butyl-11-hydroxy-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide
| Molecular Formula | C29H43O4P |
|---|---|
| Molecular Weight | 486.29 g/mol |
| LogP | 9.3 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 486.2899 |
| Heavy Atoms | 34 |
| Complexity | 703.0 |
Chemical Identifiers
| CAS Number | 106396-29-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C(=C1)C(C)(C)C)OP(=O)(OC3=C(C2)C=C(C=C3C(C)(C)C)C(C)(C)C)O |
| InChIKey | GGQHNQQPLWRNHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:1059663 (CAS 106396-29-6), with molecular formula C29H43O4P and molecular weight 486.29 g/mol. IUPAC: 1,3,7,9-tetratert-butyl-11-hydroxy-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide.
Chemical Property Profile of RefChem:1059663
Property Insights of RefChem:1059663
The XLogP value of 9.3 indicates that RefChem:1059663 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:1059663 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1059663 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:1059663?
The CAS number of RefChem:1059663 is 106396-29-6.
What is the molecular formula of RefChem:1059663?
The molecular formula of RefChem:1059663 is C29H43O4P.
What is the molecular weight of RefChem:1059663?
The molecular weight of RefChem:1059663 is 486.29 g/mol.
Where can I buy RefChem:1059663?
You can request a quote for RefChem:1059663 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1059663?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1059663 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.