(3Z)-1,4-DIMETHYL-5-PHENYL-3-(PHENYLIMINO)-2,2-BIS(PROPAN-2-YL)-3,4-DIHYDRO-2H-1,4,2-DIAZABOROL-1-IUM-2-UIDE
TL;DR: (3Z)-1,4-DIMETHYL-5-PHENYL-3-(PHENYLIMINO)-2,2-BIS(PROPAN-2-YL)-3,4-DIHYDRO-2H-1,4,2-DIAZABOROL-1-IUM-2-UIDE (CAS 70469-66-8) is a chemical compound with molecular formula C22H30BN3 and molecular weight 347.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dimethyl-N,5-diphenyl-2,2-di(propan-2-yl)-4-aza-1-azonia-2-boranuidacyclopent-5-en-3-imine
Also Known As: (3Z)-1,4-DIMETHYL-5-PHENYL-3-(PHENYLIMINO)-2,2-BIS(PROPAN-2-YL)-3,4-DIHYDRO-2H-1,4,2-DIAZABOROL-1-IUM-2-UIDE, (Z)-2,2-diisopropyl-1,4-dimethyl-5-phenyl-3-(phenylimino)-3,4-dihydro-2H-1,4,2-diazaborol-1-ium-2-uide, 1,4-dimethyl-N,5-diphenyl-2,2-di(propan-2-yl)-4-aza-1-azonia-2-boranuidacyclopent-5-en-3-imine, 1,4-dimethyl-N,5-diphenyl-2,2-dipropan-2-yl-4-aza-1-azonia-2-boranuidacyclopent-5-en-3-imine
| Molecular Formula | C22H30BN3 |
|---|---|
| Molecular Weight | 347.25 g/mol |
| LogP | 5.0558 |
| Topological Polar Surface Area | 18.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.25327 |
| Heavy Atoms | 26 |
| Complexity | 814.9806 |
Chemical Identifiers
| CAS Number | 70469-66-8 |
|---|---|
| SMILES | [B-]1(C(=NC2=CC=CC=C2)N(C(=[N+]1C)C3=CC=CC=C3)C)(C(C)C)C(C)C |
Product Overview
(3Z)-1,4-DIMETHYL-5-PHENYL-3-(PHENYLIMINO)-2,2-BIS(PROPAN-2-YL)-3,4-DIHYDRO-2H-1,4,2-DIAZABOROL-1-IUM-2-UIDE (CAS 70469-66-8), with molecular formula C22H30BN3 and molecular weight 347.25 g/mol. IUPAC: 1,4-dimethyl-N,5-diphenyl-2,2-di(propan-2-yl)-4-aza-1-azonia-2-boranuidacyclopent-5-en-3-imine.
Chemical Property Profile of (3Z)-1,4-DIMETHYL-5-PHENYL-3-(PHENYLIMINO)-2,2-BIS(PROPAN-2-YL)-3,4-DIHYDRO-2H-1,4,2-DIAZABOROL-1-IUM-2-UIDE
Property Insights of (3Z)-1,4-DIMETHYL-5-PHENYL-3-(PHENYLIMINO)-2,2-BIS(PROPAN-2-YL)-3,4-DIHYDRO-2H-1,4,2-DIAZABOROL-1-IUM-2-UIDE
The XLogP value of 5.0558 indicates that (3Z)-1,4-DIMETHYL-5-PHENYL-3-(PHENYLIMINO)-2,2-BIS(PROPAN-2-YL)-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, (3Z)-1,4-DIMETHYL-5-PHENYL-3-(PHENYLIMINO)-2,2-BIS(PROPAN-2-YL)-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, (3Z)-1,4-DIMETHYL-5-PHENYL-3-(PHENYLIMINO)-2,2-BIS(PROPAN-2-YL)-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 (3Z)-1,4-DIMETHYL-5-PHENYL-3-(PHENYLIMINO)-2,2-BIS(PROPAN-2-YL)-3,4-DIHYDRO-2H-1,4,2-DIAZABOROL-1-IUM-2-UIDE?
The CAS number of (3Z)-1,4-DIMETHYL-5-PHENYL-3-(PHENYLIMINO)-2,2-BIS(PROPAN-2-YL)-3,4-DIHYDRO-2H-1,4,2-DIAZABOROL-1-IUM-2-UIDE is 70469-66-8.
What is the molecular formula of (3Z)-1,4-DIMETHYL-5-PHENYL-3-(PHENYLIMINO)-2,2-BIS(PROPAN-2-YL)-3,4-DIHYDRO-2H-1,4,2-DIAZABOROL-1-IUM-2-UIDE?
The molecular formula of (3Z)-1,4-DIMETHYL-5-PHENYL-3-(PHENYLIMINO)-2,2-BIS(PROPAN-2-YL)-3,4-DIHYDRO-2H-1,4,2-DIAZABOROL-1-IUM-2-UIDE is C22H30BN3.
What is the molecular weight of (3Z)-1,4-DIMETHYL-5-PHENYL-3-(PHENYLIMINO)-2,2-BIS(PROPAN-2-YL)-3,4-DIHYDRO-2H-1,4,2-DIAZABOROL-1-IUM-2-UIDE?
The molecular weight of (3Z)-1,4-DIMETHYL-5-PHENYL-3-(PHENYLIMINO)-2,2-BIS(PROPAN-2-YL)-3,4-DIHYDRO-2H-1,4,2-DIAZABOROL-1-IUM-2-UIDE is 347.25 g/mol.
Where can I buy (3Z)-1,4-DIMETHYL-5-PHENYL-3-(PHENYLIMINO)-2,2-BIS(PROPAN-2-YL)-3,4-DIHYDRO-2H-1,4,2-DIAZABOROL-1-IUM-2-UIDE?
You can request a quote for (3Z)-1,4-DIMETHYL-5-PHENYL-3-(PHENYLIMINO)-2,2-BIS(PROPAN-2-YL)-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 (3Z)-1,4-DIMETHYL-5-PHENYL-3-(PHENYLIMINO)-2,2-BIS(PROPAN-2-YL)-3,4-DIHYDRO-2H-1,4,2-DIAZABOROL-1-IUM-2-UIDE?
Yes, KEHONG BIO provides custom synthesis services for (3Z)-1,4-DIMETHYL-5-PHENYL-3-(PHENYLIMINO)-2,2-BIS(PROPAN-2-YL)-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.