C12H14BrIO5
TL;DR: C12H14BrIO5 (CAS 1024594-20-4) is a chemical compound with molecular formula C12H14BrIO5 and molecular weight 443.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenoxy)-6-(iodomethyl)oxane-3,4,5-triol
Also Known As: 2-(4-bromophenoxy)-6-(iodomethyl)oxane-3,4,5-triol, (2S,3R,4S,5S,6S)-2-(4-bromophenoxy)-6-(iodomethyl)tetrahydro-2H-pyran-3,4,5-triol, C12H14BrIO5
| Molecular Formula | C12H14BrIO5 |
|---|---|
| Molecular Weight | 443.91 g/mol |
| LogP | 1.0705 |
| Topological Polar Surface Area | 79.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 443.90692 |
| Heavy Atoms | 19 |
| Complexity | 413.0857 |
Chemical Identifiers
| CAS Number | 1024594-20-4 |
|---|---|
| SMILES | C1=CC(=CC=C1OC2C(C(C(C(O2)CI)O)O)O)Br |
Product Overview
C12H14BrIO5 (CAS 1024594-20-4), with molecular formula C12H14BrIO5 and molecular weight 443.91 g/mol. IUPAC: 2-(4-bromophenoxy)-6-(iodomethyl)oxane-3,4,5-triol.
Chemical Property Profile of C12H14BrIO5
Property Insights of C12H14BrIO5
The XLogP value of 1.0705 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C12H14BrIO5. The TPSA of 79.15 Ų falls within the moderate polarity range, balancing permeability and solubility for C12H14BrIO5. Following Lipinski's Rule of Five, C12H14BrIO5 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C12H14BrIO5?
The CAS number of C12H14BrIO5 is 1024594-20-4.
What is the molecular formula of C12H14BrIO5?
The molecular formula of C12H14BrIO5 is C12H14BrIO5.
What is the molecular weight of C12H14BrIO5?
The molecular weight of C12H14BrIO5 is 443.91 g/mol.
Where can I buy C12H14BrIO5?
You can request a quote for C12H14BrIO5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C12H14BrIO5?
Yes, KEHONG BIO provides custom synthesis services for C12H14BrIO5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.