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: ≥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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
35213-56-0 / 2-chloro-6-ethyl-4-methylquinoline
Basic Information
CAS
35213-56-0
Multi CAS
No
Molecular Formula
C12H12CLN
Molecular Weight
205.680000
Exact Mass
205.065827
InChI
InChI=1S/C12H12ClN/c1-3-9-4-5-11-10(7-9)8(2)6-12(13)14-11/h4-7H,3H2,1-2H3
InChIKey
NAPCZCIGFFCPDE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
60.87
TPSA
12.89
LogP / Solubility
WLOGP
3.76
MLOGP
3.31
XLogP3
4.3
Consensus LogP
3.79
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.24
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)
-1.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
Anhydrobyankangelicin
- CAS RN: 35214-81-4
- Product Code: starshine_CAS35214-81-4
- Purity/Analytical method: >99.0%
-
-
N-[(1S)-2′-aMino[1,1′-binaphthalen]-2-yl]-AcetaMide
- CAS RN: 35216-74-1
- Product Code: SSC-142093
-
-
ethyl 5-aMinoiMidazo[1,2-a]pyridine-3-carboxylate
- CAS RN: 35220-15-6
- Product Code: SSC-142099
-
ETHYL 5-AMINO-2-METHYLIMIDAZO[1,2-A]PYRIDINE-3-CARBOXYLATE
- CAS RN: 35220-24-7
- Product Code: SSC-142100
![CAS 35216-74-1 N-[(1S)-2′-aMino[1,1′-binaphthalen]-2-yl]-AcetaMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/35216-74-1.gif)
![CAS 35220-15-6 ethyl 5-aMinoiMidazo[1,2-a]pyridine-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/35220-15-6.gif)
![CAS 35220-24-7 ETHYL 5-AMINO-2-METHYLIMIDAZO[1,2-A]PYRIDINE-3-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/35220-24-7.gif)