![CAS 128625-52-5 1H-Benzotriazol-1-yloxytripyrrolidinophosphonium Hexafluorophosphate [Coupling Reagent for Peptide] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b1774-jpgcontextbwfzdgvyfhjvb3r8mzy5otd8aw1hz2uvanblz3xomjivagzmlzg5mjg3ndk0odyxmtavqje3nzquanbnfgzkzduzyzmzmtu3nwi0zgvhotizmmm5mtg4odfjndfkngrjytc5zjm3mtgzntg2nmywzjkzodjinmy4yzhimje.jpeg)
CAS RN: 128625-52-5
1H-Benzotriazol-1-yloxytripyrrolidinophosphonium Hexafluorophosphate [Coupling Reagent for Peptide]
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250624 | 100g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260409 | 25g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20251026 | 500g | Out of stock | Inquiry | |
| Batchno.20250205 | 5g / 25g / 100g / 500g / 2.5kg | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing, Hebei | Inquiry |
- Product code: SSC-035841
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 5g, 10g, 25g, 100g, 500g, 1000g
- Available purity: >95%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 10g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 25g | >95% | 5 In Stock | Shanghai | Inquiry |
| 100g | >95% | 5 In Stock | Shanghai | Inquiry |
| 500g | >95% | 5 In Stock | Beijing | Inquiry |
| 1000g | >95% | 5 In Stock | Shenzhen | Inquiry |
128625-52-5 / benzotriazol-1-yloxy(tripyrrolidin-1-yl)phosphanium hexafluorophosphate
Basic Information
CAS
128625-52-5
Multi CAS
No
Molecular Formula
C18H28F6N6OP2
Molecular Weight
520.400000
Exact Mass
520.170403
SMILES
C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=CC=CC=C5N=N4.F[P-](F)(F)(F)(F)F
InChI
InChI=1S/C18H28N6OP.F6P/c1-2-10-18-17(9-1)19-20-24(18)25-26(21-11-3-4-12-21,22-13-5-6-14-22)23-15-7-8-16-23;1-7(2,3,4,5)6/h1-2,9-10H,3-8,11-16H2;/q+1;-1
InChIKey
VIAFLMPQBHAMLI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
9
Fraction Csp3
0.67
Rotatable bonds
5
H-bond acceptors
7
Molar refractivity
117.02
TPSA
49.66
LogP / Solubility
WLOGP
6.21
MLOGP
5.5
XLogP3
6.21
Consensus LogP
5.97
Log S (ESOL)
-6.85
Class (ESOL)
Insoluble
Log S (Ali)
-8.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.79
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.49
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
Safety & Transport
Pictogram(s)
Irritant
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (14.9%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (87.8%): Causes skin irritation [Warning Skin corrosion/irritation]
H317 (12.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H319 (87.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (86.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501
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![CAS 676525-77-2 (4,4′-Di-tert-butyl-2,2′-bipyridine)bis[(2-pyridinyl)phenyl]iridium(III) Hexafluorophosphate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d4887-jpgcontextbwfzdgvyfhjvb3r8ndmynzr8aw1hz2uvanblz3xomtkvagzjlzg5mzazndy0mde4mjivrdq4odcuanbnfgvjntlmyju2y2uzyme1mwixyzexzgy3ytk3mde3mte2ythhyjnmmwe4mjewnda0ngfiywyxmjk1yzg5nti5mmq.jpeg)
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