diethylboron methoxide
TL;DR: diethylboron methoxide (CAS 85462-93-7) is a chemical compound with molecular formula C20H28ClNO4S and molecular weight 413.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-yloxy)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propan-2-ol;hydrochloride
Also Known As: diethylboron methoxide, 2-Propanol, 1-((5,6-dihydro-4H-cyclopenta(b)thien-3-yl)oxy)-3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-, hydrochloride, 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-yloxy)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propan-2-ol hydrochloride, 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-yloxy)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propan-2-ol,hydrochloride, 1-[(5,6-Dihydro-4H-cyclopenta[b]thiophen-3-yl)oxy]-3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}propan-2-ol--hydrogen chloride (1/1)
| Molecular Formula | C20H28ClNO4S |
|---|---|
| Molecular Weight | 413.14 g/mol |
| LogP | 3.2478 |
| Topological Polar Surface Area | 59.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 413.14276 |
| Heavy Atoms | 27 |
| Complexity | 722.00244 |
Chemical Identifiers
| CAS Number | 85462-93-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNCC(COC2=CSC3=C2CCC3)O)OC.Cl |
Product Overview
diethylboron methoxide (CAS 85462-93-7), with molecular formula C20H28ClNO4S and molecular weight 413.14 g/mol. IUPAC: 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-yloxy)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propan-2-ol;hydrochloride.
Chemical Property Profile of diethylboron methoxide
Property Insights of diethylboron methoxide
The XLogP value of 3.2478 indicates that diethylboron methoxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.95 Ų, diethylboron methoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, diethylboron methoxide has 2 hydrogen bond donor(s) and 6 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 diethylboron methoxide?
The CAS number of diethylboron methoxide is 85462-93-7.
What is the molecular formula of diethylboron methoxide?
The molecular formula of diethylboron methoxide is C20H28ClNO4S.
What is the molecular weight of diethylboron methoxide?
The molecular weight of diethylboron methoxide is 413.14 g/mol.
Where can I buy diethylboron methoxide?
You can request a quote for diethylboron methoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethylboron methoxide?
Yes, KEHONG BIO provides custom synthesis services for diethylboron methoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.