RefChem:72934
TL;DR: RefChem:72934 (CAS 68555-83-9) is a chemical compound with molecular formula C27H51BBr6O9 and molecular weight 1003.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris[2-(2,3-dibromopropoxymethyl)-2-(hydroxymethyl)butyl] borate
Also Known As: Trimethylolpropane, mono(2,3-dibromopropyl ether), borate, 1,3-Propanediol, 2-((2,3-dibromopropoxy)methyl)-2-ethyl-, ester with boric acid (H3BO3) (3:1), Boricacidtris[2-ethyl-2-[ methyl]-3-hydroxypropyl]ester, tris{2-[(2,3-dibromopropoxy)methyl]-2-(hydroxymethyl)butyl}borate, 1,3-Propanediol, 2-((2,3-dibromopropoxy)methyl)-2-ethyl-, 1,1',1''-triester with boric acid (H3BO3)
| Molecular Formula | C27H51BBr6O9 |
|---|---|
| Molecular Weight | 1003.87 g/mol |
| LogP | 5.71 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 30 |
| Exact Mass | 1009.8665 |
| Heavy Atoms | 43 |
| Complexity | 597.0 |
Chemical Identifiers
| CAS Number | 68555-83-9 |
|---|---|
| SMILES | B(OCC(CC)(CO)COCC(CBr)Br)(OCC(CC)(CO)COCC(CBr)Br)OCC(CC)(CO)COCC(CBr)Br |
| InChIKey | ZRTVLFVQRKJFCJ-UHFFFAOYSA-N |
Product Overview
RefChem:72934 (CAS 68555-83-9), with molecular formula C27H51BBr6O9 and molecular weight 1003.87 g/mol. IUPAC: tris[2-(2,3-dibromopropoxymethyl)-2-(hydroxymethyl)butyl] borate.
Chemical Property Profile of RefChem:72934
Property Insights of RefChem:72934
The XLogP value of 5.71 indicates that RefChem:72934 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:72934. Following Lipinski's Rule of Five, RefChem:72934 has 3 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:72934?
The CAS number of RefChem:72934 is 68555-83-9.
What is the molecular formula of RefChem:72934?
The molecular formula of RefChem:72934 is C27H51BBr6O9.
What is the molecular weight of RefChem:72934?
The molecular weight of RefChem:72934 is 1003.87 g/mol.
Where can I buy RefChem:72934?
You can request a quote for RefChem:72934 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:72934?
Yes, KEHONG BIO provides custom synthesis services for RefChem:72934 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.