![CAS 94790-37-1 HBTU [Coupling Reagent for Peptide] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b1657-jpgcontextbwfzdgvyfhjvb3r8nda4ntn8aw1hz2uvanblz3xozgyvadbjlzg5mjg3ndiwoda1ndivqje2ntcuanbnfdvjnwezzweyodljodzjmza2ytc0ztcyngziotg0nzuyztg1odfhm2iwmzy0ytkyodzkyzu2odvhntk2mtm2n2q.jpeg)
CAS RN: 94790-37-1
HBTU [Coupling Reagent for Peptide]
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251120 | 25g / 100g / 500g / 2.5kg | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing, Hebei | Inquiry |
- Product code: SSC-209992
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, 25g, 100g, 500g, 1000g
- Available purity: >98%
- Inventory rows with stock: 5
- 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 | >98% | 5 In Stock | Hong Kong | Inquiry |
| 25g | >98% | 5 In Stock | Beijing | Inquiry |
| 100g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 500g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 1000g | >98% | 5 In Stock | Shanghai | Inquiry |
94790-37-1 / [benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium hexafluorophosphate
Basic Information
CAS
94790-37-1
Multi CAS
Yes
Molecular Formula
C11F6H16N5OP
Molecular Weight
379.240000
Exact Mass
379.099666
InChI
InChI=1S/C11H16N5O.F6P/c1-14(2)11(15(3)4)17-16-10-8-6-5-7-9(10)12-13-16;1-7(2,3,4,5)6/h5-8H,1-4H3;/q+1;-1
InChIKey
UQYZFNUUOSSNKT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
78.48
TPSA
46.19
LogP / Solubility
WLOGP
3.43
MLOGP
3.04
XLogP3
3.43
Consensus LogP
3.3
Log S (ESOL)
-4.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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