RefChem:75213
TL;DR: RefChem:75213 (CAS 68555-87-3) is a chemical compound with molecular formula C36H63BBr12O9 and molecular weight 1597.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris[2,2-bis(2,3-dibromopropoxymethyl)butyl] borate
Also Known As: tris{2,2-bis[(2,3-dibromopropoxy)methyl]butyl} borate, boricacidtris[2,2-bis[methyl]butyl]ester, Boricacidtris[2,2-bis[ methyl]butyl]ester, Trimethylolpropane, di(2,3-dibromopropylether), borate, 2-(Aminomethyl)-3,3,5-trimethylcyclopentanamine
| Molecular Formula | C36H63BBr12O9 |
|---|---|
| Molecular Weight | 1597.48 g/mol |
| LogP | 12.26 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 42 |
| Exact Mass | 1609.4642 |
| Heavy Atoms | 58 |
| Complexity | 802.0 |
Chemical Identifiers
| CAS Number | 68555-87-3 |
|---|---|
| SMILES | B(OCC(CC)(COCC(CBr)Br)COCC(CBr)Br)(OCC(CC)(COCC(CBr)Br)COCC(CBr)Br)OCC(CC)(COCC(CBr)Br)COCC(CBr)Br |
| InChIKey | VPLXQINUDPTQSD-UHFFFAOYSA-N |
Product Overview
RefChem:75213 (CAS 68555-87-3), with molecular formula C36H63BBr12O9 and molecular weight 1597.48 g/mol. IUPAC: tris[2,2-bis(2,3-dibromopropoxymethyl)butyl] borate.
Chemical Property Profile of RefChem:75213
Property Insights of RefChem:75213
The XLogP value of 12.26 indicates that RefChem:75213 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:75213. Following Lipinski's Rule of Five, RefChem:75213 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:75213?
The CAS number of RefChem:75213 is 68555-87-3.
What is the molecular formula of RefChem:75213?
The molecular formula of RefChem:75213 is C36H63BBr12O9.
What is the molecular weight of RefChem:75213?
The molecular weight of RefChem:75213 is 1597.48 g/mol.
Where can I buy RefChem:75213?
You can request a quote for RefChem:75213 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:75213?
Yes, KEHONG BIO provides custom synthesis services for RefChem:75213 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.