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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
77377-27-6 / (E)-3-quinolin-8-ylprop-2-enoic acid
Basic Information
CAS
77377-27-6
Multi CAS
Yes
Molecular Formula
C12H9NO2
Molecular Weight
199.200000
Exact Mass
199.063329
InChI
InChI=1S/C12H9NO2/c14-11(15)7-6-10-4-1-3-9-5-2-8-13-12(9)10/h1-8H,(H,14,15)/b7-6+
InChIKey
JIEIJAGBFCDWPA-VOTSOKGWSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.41
TPSA
50.19
LogP / Solubility
WLOGP
2.33
MLOGP
2.05
XLogP3
2.2
Consensus LogP
2.19
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
1,2-bis[4-(1,1-dimethylethyl)phenyl]-2-hydroxyethan-1-one
- CAS RN: 77387-64-5
- Product Code: SSC-186920
-
(2-Ethyl 2,3,4-Tri-O-acetyl–D-glucopyranoside) Uronate
- CAS RN: 77392-66-6
- Product Code: SSC-186944
-
SesarteMin
- CAS RN: 77394-27-5
- Product Code: starshine_CAS77394-27-5
- Purity/Analytical method: >99.0%
![CAS 77387-64-5 1,2-bis[4-(1,1-dimethylethyl)phenyl]-2-hydroxyethan-1-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/77387-64-5.gif)
