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: 25g
- 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 |
|---|---|---|---|---|
| 25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
2226916-90-9 / 7-chlorodibenzofuran-1-ol
Basic Information
CAS
2226916-90-9
Multi CAS
No
Molecular Formula
C12H7ClO2
Molecular Weight
218.630000
Exact Mass
218.013457
SMILES
C1=CC(=C2C3=C(C=C(C=C3)Cl)OC2=C1)O
InChI
InChI=1S/C12H7ClO2/c13-7-4-5-8-11(6-7)15-10-3-1-2-9(14)12(8)10/h1-6,14H
InChIKey
RNNYOOHHSGBUGQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
13
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.39
TPSA
33.37
LogP / Solubility
WLOGP
3.95
MLOGP
3.47
XLogP3
3.9
Consensus LogP
3.77
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 2226923-73-3 4′,4”’-(phenylazanediyl)bis(([1,1′-biphenyl]-3,5-dicarboxylic acid)) molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
4′,4”’-(phenylazanediyl)bis(([1,1′-biphenyl]-3,5-dicarboxylic acid))
- CAS RN: 2226923-73-3
- Product Code: starshine_CAS2226923-73-3
- Purity/Analytical method: >99.0%
-
Aurora inhibitor 1
- CAS RN: 2227019-45-4
- Product Code: starshine_CAS2227019-45-4
- Purity/Analytical method: >99.0%
-
-
Boronic acid, B-[1-(1-ethoxyethyl)-1H-pyrazol-4-yl]-
- CAS RN: 2227194-01-4
- Product Code: SSC-107393
-
exo-8-oxabicyclo[3.2.1]octane-3-carbonitrile
- CAS RN: 2227197-28-4
- Product Code: SSC-107395
-
(3S)-3-(fluoromethyl)pyrrolidine hydrochloride
- CAS RN: 2227197-34-2
- Product Code: SSC-107398
![CAS 2226923-73-3 4′,4”’-(phenylazanediyl)bis(([1,1′-biphenyl]-3,5-dicarboxylic acid)) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2226923-73-3.gif)
![CAS 2227194-01-4 Boronic acid, B-[1-(1-ethoxyethyl)-1H-pyrazol-4-yl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2227194-01-4.gif)
![CAS 2227197-28-4 exo-8-oxabicyclo[3.2.1]octane-3-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2227197-28-4.gif)
