Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
885007-62-5 / 4,4,5,5-tetramethyl-2-(5-nitronaphthalen-1-yl)-1,3,2-dioxaborolane
Basic Information
CAS
885007-62-5
Multi CAS
Yes
Molecular Formula
BC16H18NO4
Molecular Weight
299.100000
Exact Mass
299.132888
InChI
InChI=1S/C16H18BNO4/c1-15(2)16(3,4)22-17(21-15)13-9-5-8-12-11(13)7-6-10-14(12)18(19)20/h5-10H,1-4H3
InChIKey
UXFZKGUNTVLPMT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
10
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
86.32
TPSA
61.6
LogP / Solubility
WLOGP
3.05
MLOGP
2.69
XLogP3
3.05
Consensus LogP
2.93
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.37
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
trans-ACUB
- CAS RN: 885012-33-9
- Product Code: starshine_CAS885012-33-9
- Purity/Analytical method: >99.0%
-
-
Spiro[piperidine-4,3′-[3H]pyrrolo[2,3-b]pyridine]-1-carboxylic acid, 1′,2′-dihydro-2′-oxo-, 1,1-diMethylethyl ester
- CAS RN: 885031-86-7
- Product Code: SSC-199218
-
1-amino-3-methoxy-3-methylbutan-2-ol
- CAS RN: 885032-36-0
- Product Code: starshine_CAS885032-36-0
- Purity/Analytical method: >99.0%
-
Farrerol 7-O-glucoside
- CAS RN: 885044-12-2
- Product Code: starshine_CAS885044-12-2
- Purity/Analytical method: >99.0%
-
ARRY-520 (R enantioMer)
- CAS RN: 885060-08-2
- Product Code: starshine_CAS885060-08-2
- Purity/Analytical method: >99.0%
![CAS 885031-86-7 Spiro[piperidine-4,3′-[3H]pyrrolo[2,3-b]pyridine]-1-carboxylic acid, 1′,2′-dihydro-2′-oxo-, 1,1-diMethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/885031-86-7.gif)
