![CAS 2643943-12-6 5H-Cyclopenta[b]pyridin-7-ol, 2-chloro-7-ethyl-6,7-dihydro-, (7R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2643943-12-6.gif)
CAS RN: 2643943-12-6
5H-Cyclopenta[b]pyridin-7-ol, 2-chloro-7-ethyl-6,7-dihydro-, (7R)-
- Product code: SSC-124182
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 | Beijing | Inquiry |
2643943-12-6 / (7R)-2-chloro-7-ethyl-5,6-dihydrocyclopenta[b]pyridin-7-ol
Basic Information
CAS
2643943-12-6
Multi CAS
No
Molecular Formula
C10H12ClNO
Molecular Weight
197.660000
Exact Mass
197.060742
SMILES
CC[C@]1(CCC2=C1N=C(C=C2)Cl)O
InChI
InChI=1S/C10H12ClNO/c1-2-10(13)6-5-7-3-4-8(11)12-9(7)10/h3-4,13H,2,5-6H2,1H3/t10-/m1/s1
InChIKey
CIYRZICGBQOSHI-SNVBAGLBSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.76
TPSA
33.12
LogP / Solubility
WLOGP
2.28
MLOGP
2.01
XLogP3
2.1
Consensus LogP
2.13
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31
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
2
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