Dibutyl iodomethaneboronate
TL;DR: Dibutyl iodomethaneboronate (CAS 13251-29-1) is a chemical compound with molecular formula C9H20BIO2 and molecular weight 298.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutoxy(iodomethyl)borane
Also Known As: Dibutyl iodomethaneboronate, dibutoxy(iodomethyl)borane, dibutyl(iodomethyl)boronate, dibutyl (iodomethyl)boronate, B(CI)(OCCCC)OCCCC
| Molecular Formula | C9H20BIO2 |
|---|---|
| Molecular Weight | 298.06 g/mol |
| LogP | 3.08 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 298.06012 |
| Heavy Atoms | 13 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 13251-29-1 |
|---|---|
| SMILES | B(CI)(OCCCC)OCCCC |
| InChIKey | JTBKQQJNWZOKCS-UHFFFAOYSA-N |
Product Overview
Dibutyl iodomethaneboronate (CAS 13251-29-1), with molecular formula C9H20BIO2 and molecular weight 298.06 g/mol. IUPAC: dibutoxy(iodomethyl)borane.
Chemical Property Profile of Dibutyl iodomethaneboronate
Property Insights of Dibutyl iodomethaneboronate
The XLogP value of 3.08 indicates that Dibutyl iodomethaneboronate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, Dibutyl iodomethaneboronate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibutyl iodomethaneboronate has 0 hydrogen bond donor(s) and 2 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 Dibutyl iodomethaneboronate?
The CAS number of Dibutyl iodomethaneboronate is 13251-29-1.
What is the molecular formula of Dibutyl iodomethaneboronate?
The molecular formula of Dibutyl iodomethaneboronate is C9H20BIO2.
What is the molecular weight of Dibutyl iodomethaneboronate?
The molecular weight of Dibutyl iodomethaneboronate is 298.06 g/mol.
Where can I buy Dibutyl iodomethaneboronate?
You can request a quote for Dibutyl iodomethaneboronate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibutyl iodomethaneboronate?
Yes, KEHONG BIO provides custom synthesis services for Dibutyl iodomethaneboronate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.