CAS RN: 887127-69-7
3,6-Dibromo-2,7-diiodo-phenanthrene-9,10-dione
- Product code: SSC-200196
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: 1g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
887127-69-7 / 3,6-dibromo-2,7-diiodophenanthrene-9,10-dione
Basic Information
CAS
887127-69-7
Multi CAS
No
Molecular Formula
C14H4BR2I2O2
Molecular Weight
617.800000
Exact Mass
617.664700
InChI
InChI=1S/C14H4Br2I2O2/c15-9-1-5-6-2-10(16)12(18)4-8(6)14(20)13(19)7(5)3-11(9)17/h1-4H
InChIKey
TXQPVDMDSYXZQK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
H-bond acceptors
2
Molar refractivity
101.37
TPSA
34.14
LogP / Solubility
WLOGP
5.47
MLOGP
4.86
XLogP3
5.3
Consensus LogP
5.21
Log S (ESOL)
-7.56
Class (ESOL)
Insoluble
Log S (Ali)
-8.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.21
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.61
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
(1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1a,1b,2,5a,6,6a-hexahydrooxireno[2′,3′:4,5]cyclopenta[1,2-c]pyran-6-yl 4-methoxybenzoate
- CAS RN: 887140-17-2
- Product Code: starshine_CAS887140-17-2
- Purity/Analytical method: >99.0%
-
Butanedioic acid, bromo-, 4-(1,1-dimethylethyl) 1-methyl ester, (2S)- (9CI)
- CAS RN: 887143-08-0
- Product Code: starshine_CAS887143-08-0
- Purity/Analytical method: >99.0%
-
4,6-dichloro-1-Methyl-1H-iMidazo[4,5-c]pyridine
- CAS RN: 887147-19-5
- Product Code: SSC-200200
-
2,6-dichloro-N-Methyl-3-nitropyridin-4-aMine
- CAS RN: 887147-20-8
- Product Code: SSC-200201
-
BenzaMide, N-[(1S)-1-cyano-2-[5-cyano-2-(trifluoroMethyl)phenoxy]-1-Methylethyl]-4-[(trifluoroMethyl)thio]-
- CAS RN: 887148-69-8
- Product Code: starshine_CAS887148-69-8
- Purity/Analytical method: >99.0%
![CAS 887140-17-2 (1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1a,1b,2,5a,6,6a-hexahydrooxireno[2′,3′:4,5]cyclopenta[1,2-c]pyran-6-yl 4-methoxybenzoate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/887140-17-2.gif)
![CAS 887147-19-5 4,6-dichloro-1-Methyl-1H-iMidazo[4,5-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/887147-19-5.gif)
![CAS 887148-69-8 BenzaMide, N-[(1S)-1-cyano-2-[5-cyano-2-(trifluoroMethyl)phenoxy]-1-Methylethyl]-4-[(trifluoroMethyl)thio]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/887148-69-8.gif)