4,4'-Diacetoxy-3,3'-dibromo-5,5',8,8'-tetramethoxy-1,1'-binaphthalene
TL;DR: 4,4'-Diacetoxy-3,3'-dibromo-5,5',8,8'-tetramethoxy-1,1'-binaphthalene (CAS 101458-98-4) is a chemical compound with molecular formula C28H24Br2O8 and molecular weight 645.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-acetyloxy-3-bromo-5,8-dimethoxynaphthalen-1-yl)-2-bromo-5,8-dimethoxynaphthalen-1-yl] acetate
Also Known As: 4,4'-Diacetoxy-3,3'-dibromo-5,5',8,8'-tetramethoxy-1,1'-binaphthalene, 4'-(acetyloxy)-3,3'-dibromo-5,5',8,8'-tetramethoxy-[1,1'-binaphthalen]-4-yl acetate, 4,4 -Diacetoxy-3,3 -dibromo-5,5 ,8,8 -tetramethoxy-1,1 -binaphthalene, [4-(4-acetyloxy-3-bromo-5,8-dimethoxynaphthalen-1-yl)-2-bromo-5,8-dimethoxynaphthalen-1-yl] acetate
| Molecular Formula | C28H24Br2O8 |
|---|---|
| Molecular Weight | 645.98 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 89.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 645.98376 |
| Heavy Atoms | 38 |
| Complexity | 763.0 |
Chemical Identifiers
| CAS Number | 101458-98-4 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C2=C(C=CC(=C21)OC)OC)C3=CC(=C(C4=C(C=CC(=C34)OC)OC)OC(=O)C)Br)Br |
| InChIKey | DFXDGQSPWHKBCH-UHFFFAOYSA-N |
Product Overview
4,4'-Diacetoxy-3,3'-dibromo-5,5',8,8'-tetramethoxy-1,1'-binaphthalene (CAS 101458-98-4), with molecular formula C28H24Br2O8 and molecular weight 645.98 g/mol. IUPAC: [4-(4-acetyloxy-3-bromo-5,8-dimethoxynaphthalen-1-yl)-2-bromo-5,8-dimethoxynaphthalen-1-yl] acetate.
Chemical Property Profile of 4,4'-Diacetoxy-3,3'-dibromo-5,5',8,8'-tetramethoxy-1,1'-binaphthalene
Property Insights of 4,4'-Diacetoxy-3,3'-dibromo-5,5',8,8'-tetramethoxy-1,1'-binaphthalene
The XLogP value of 6.8 indicates that 4,4'-Diacetoxy-3,3'-dibromo-5,5',8,8'-tetramethoxy-1,1'-binaphthalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-Diacetoxy-3,3'-dibromo-5,5',8,8'-tetramethoxy-1,1'-binaphthalene. Following Lipinski's Rule of Five, 4,4'-Diacetoxy-3,3'-dibromo-5,5',8,8'-tetramethoxy-1,1'-binaphthalene has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,4'-Diacetoxy-3,3'-dibromo-5,5',8,8'-tetramethoxy-1,1'-binaphthalene?
The CAS number of 4,4'-Diacetoxy-3,3'-dibromo-5,5',8,8'-tetramethoxy-1,1'-binaphthalene is 101458-98-4.
What is the molecular formula of 4,4'-Diacetoxy-3,3'-dibromo-5,5',8,8'-tetramethoxy-1,1'-binaphthalene?
The molecular formula of 4,4'-Diacetoxy-3,3'-dibromo-5,5',8,8'-tetramethoxy-1,1'-binaphthalene is C28H24Br2O8.
What is the molecular weight of 4,4'-Diacetoxy-3,3'-dibromo-5,5',8,8'-tetramethoxy-1,1'-binaphthalene?
The molecular weight of 4,4'-Diacetoxy-3,3'-dibromo-5,5',8,8'-tetramethoxy-1,1'-binaphthalene is 645.98 g/mol.
Where can I buy 4,4'-Diacetoxy-3,3'-dibromo-5,5',8,8'-tetramethoxy-1,1'-binaphthalene?
You can request a quote for 4,4'-Diacetoxy-3,3'-dibromo-5,5',8,8'-tetramethoxy-1,1'-binaphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Diacetoxy-3,3'-dibromo-5,5',8,8'-tetramethoxy-1,1'-binaphthalene?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Diacetoxy-3,3'-dibromo-5,5',8,8'-tetramethoxy-1,1'-binaphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.