(E)-2,2-dibutyl-1,4-diisopropyl-5-phenyl-3-(phenylimino)-3,4-dihydro-2H-1,4,2-diazaborol-1-ium-2-uide
TL;DR: (E)-2,2-dibutyl-1,4-diisopropyl-5-phenyl-3-(phenylimino)-3,4-dihydro-2H-1,4,2-diazaborol-1-ium-2-uide (CAS 70426-38-9) is a chemical compound with molecular formula C28H42BN3 and molecular weight 431.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dibutyl-N,5-diphenyl-1,4-di(propan-2-yl)-4-aza-1-azonia-2-boranuidacyclopent-5-en-3-imine
Also Known As: (E)-2,2-dibutyl-1,4-diisopropyl-5-phenyl-3-(phenylimino)-3,4-dihydro-2H-1,4,2-diazaborol-1-ium-2-uide, 2,2-dibutyl-N,5-diphenyl-1,4-di(propan-2-yl)-4-aza-1-azonia-2-boranuidacyclopent-5-en-3-imine, 2,2-dibutyl-N,5-diphenyl-1,4-dipropan-2-yl-4-aza-1-azonia-2-boranuidacyclopent-5-en-3-imine
| Molecular Formula | C28H42BN3 |
|---|---|
| Molecular Weight | 431.35 g/mol |
| LogP | 7.3932 |
| Topological Polar Surface Area | 18.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 10 |
| Exact Mass | 431.34717 |
| Heavy Atoms | 32 |
| Complexity | 908.2084 |
Chemical Identifiers
| CAS Number | 70426-38-9 |
|---|---|
| SMILES | [B-]1(C(=NC2=CC=CC=C2)N(C(=[N+]1C(C)C)C3=CC=CC=C3)C(C)C)(CCCC)CCCC |
Product Overview
(E)-2,2-dibutyl-1,4-diisopropyl-5-phenyl-3-(phenylimino)-3,4-dihydro-2H-1,4,2-diazaborol-1-ium-2-uide (CAS 70426-38-9), with molecular formula C28H42BN3 and molecular weight 431.35 g/mol. IUPAC: 2,2-dibutyl-N,5-diphenyl-1,4-di(propan-2-yl)-4-aza-1-azonia-2-boranuidacyclopent-5-en-3-imine.
Chemical Property Profile of (E)-2,2-dibutyl-1,4-diisopropyl-5-phenyl-3-(phenylimino)-3,4-dihydro-2H-1,4,2-diazaborol-1-ium-2-uide
Property Insights of (E)-2,2-dibutyl-1,4-diisopropyl-5-phenyl-3-(phenylimino)-3,4-dihydro-2H-1,4,2-diazaborol-1-ium-2-uide
The XLogP value of 7.3932 indicates that (E)-2,2-dibutyl-1,4-diisopropyl-5-phenyl-3-(phenylimino)-3,4-dihydro-2H-1,4,2-diazaborol-1-ium-2-uide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.61 Ų, (E)-2,2-dibutyl-1,4-diisopropyl-5-phenyl-3-(phenylimino)-3,4-dihydro-2H-1,4,2-diazaborol-1-ium-2-uide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2,2-dibutyl-1,4-diisopropyl-5-phenyl-3-(phenylimino)-3,4-dihydro-2H-1,4,2-diazaborol-1-ium-2-uide has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-2,2-dibutyl-1,4-diisopropyl-5-phenyl-3-(phenylimino)-3,4-dihydro-2H-1,4,2-diazaborol-1-ium-2-uide?
The CAS number of (E)-2,2-dibutyl-1,4-diisopropyl-5-phenyl-3-(phenylimino)-3,4-dihydro-2H-1,4,2-diazaborol-1-ium-2-uide is 70426-38-9.
What is the molecular formula of (E)-2,2-dibutyl-1,4-diisopropyl-5-phenyl-3-(phenylimino)-3,4-dihydro-2H-1,4,2-diazaborol-1-ium-2-uide?
The molecular formula of (E)-2,2-dibutyl-1,4-diisopropyl-5-phenyl-3-(phenylimino)-3,4-dihydro-2H-1,4,2-diazaborol-1-ium-2-uide is C28H42BN3.
What is the molecular weight of (E)-2,2-dibutyl-1,4-diisopropyl-5-phenyl-3-(phenylimino)-3,4-dihydro-2H-1,4,2-diazaborol-1-ium-2-uide?
The molecular weight of (E)-2,2-dibutyl-1,4-diisopropyl-5-phenyl-3-(phenylimino)-3,4-dihydro-2H-1,4,2-diazaborol-1-ium-2-uide is 431.35 g/mol.
Where can I buy (E)-2,2-dibutyl-1,4-diisopropyl-5-phenyl-3-(phenylimino)-3,4-dihydro-2H-1,4,2-diazaborol-1-ium-2-uide?
You can request a quote for (E)-2,2-dibutyl-1,4-diisopropyl-5-phenyl-3-(phenylimino)-3,4-dihydro-2H-1,4,2-diazaborol-1-ium-2-uide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2,2-dibutyl-1,4-diisopropyl-5-phenyl-3-(phenylimino)-3,4-dihydro-2H-1,4,2-diazaborol-1-ium-2-uide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2,2-dibutyl-1,4-diisopropyl-5-phenyl-3-(phenylimino)-3,4-dihydro-2H-1,4,2-diazaborol-1-ium-2-uide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.