PEG-biotincap-ATB-BMPA
TL;DR: PEG-biotincap-ATB-BMPA (CAS 207971-25-3) is a chemical compound with molecular formula C46H70F3N7O19S and molecular weight 1113.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1,3-bis[[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy]propan-2-yl]-2-[2-[2-[2-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]ethoxy]ethoxy]ethoxy]-4-[3-(trifluoromethyl)diazirin-3-yl]benzamide
Also Known As: PEG-biotincap-ATB-BMPA, N-[2-[2-[2-[(N-Biotinyl-caproylamino)-ethoxy)ethoxyl]-4-[2-(trifluoromethyl)-3H-diazirin-3-yl]benzoyl]-1,3-bis(mannopyranosyl-4-yloxy)-2-propylamine, 2-[2-[2-[2-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]ethoxy]ethoxy]ethoxy]-4-[3-(trifluoromethyl)diazirin-3-yl]-N-[2-[4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-1-[[4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxymethyl]ethyl]benzamide, N-(1,3-bis((4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)propan-2-yl)-2-((10,17-dioxo-21-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-3,6-dioxa-9,16-diazahenicosyl)oxy)-4-(3-(trifluoromethyl)-3H-diazirin-3-yl)benzamide, N-[1,3-bis[[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy]propan-2-yl]-2-[2-[2-[2-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]ethoxy]ethoxy]ethoxy]-4-[3-(trifluoromethyl)diazirin-3-yl]benzamide
| Molecular Formula | C46H70F3N7O19S |
|---|---|
| Molecular Weight | 1113.44 g/mol |
| LogP | -2.4705 |
| Topological Polar Surface Area | 379.6 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 32 |
| Exact Mass | 1113.44 |
| Heavy Atoms | 76 |
| Complexity | 2025.3201 |
Chemical Identifiers
| CAS Number | 207971-25-3 |
|---|---|
| SMILES | C1C2C(C(S1)CCCCC(=O)NCCCCCC(=O)NCCOCCOCCOC3=C(C=CC(=C3)C4(N=N4)C(F)(F)F)C(=O)NC(COC5C(OC(C(C5O)O)O)CO)COC6C(OC(C(C6O)O)O)CO)NC(=O)N2 |
Product Overview
PEG-biotincap-ATB-BMPA (CAS 207971-25-3), with molecular formula C46H70F3N7O19S and molecular weight 1113.44 g/mol. IUPAC: N-[1,3-bis[[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy]propan-2-yl]-2-[2-[2-[2-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]ethoxy]ethoxy]ethoxy]-4-[3-(trifluoromethyl)diazirin-3-yl]benzamide.
Chemical Property Profile of PEG-biotincap-ATB-BMPA
Property Insights of PEG-biotincap-ATB-BMPA
The XLogP value of -2.4705 indicates that PEG-biotincap-ATB-BMPA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 379.6 Ų indicates high polarity, suggesting PEG-biotincap-ATB-BMPA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, PEG-biotincap-ATB-BMPA has 13 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of PEG-biotincap-ATB-BMPA?
The CAS number of PEG-biotincap-ATB-BMPA is 207971-25-3.
What is the molecular formula of PEG-biotincap-ATB-BMPA?
The molecular formula of PEG-biotincap-ATB-BMPA is C46H70F3N7O19S.
What is the molecular weight of PEG-biotincap-ATB-BMPA?
The molecular weight of PEG-biotincap-ATB-BMPA is 1113.44 g/mol.
Where can I buy PEG-biotincap-ATB-BMPA?
You can request a quote for PEG-biotincap-ATB-BMPA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PEG-biotincap-ATB-BMPA?
Yes, KEHONG BIO provides custom synthesis services for PEG-biotincap-ATB-BMPA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.