![CAS 221137-23-1 5H-Cyclopenta[b]pyridine-2-methanamine,6,7-dihydro-(9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/221137-23-1.gif)
CAS RN: 221137-23-1
5H-Cyclopenta[b]pyridine-2-methanamine,6,7-dihydro-(9CI)
- Product code: SSC-106389
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 | Shenzhen | Inquiry |
221137-23-1 / 6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylmethanamine
Basic Information
CAS
221137-23-1
Multi CAS
No
Molecular Formula
C9H12N2
Molecular Weight
148.200000
Exact Mass
148.100048
SMILES
C1CC2=C(C1)N=C(C=C2)CN
InChI
InChI=1S/C9H12N2/c10-6-8-5-4-7-2-1-3-9(7)11-8/h4-5H,1-3,6,10H2
InChIKey
NYGSKYXLMNWEQK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.15
TPSA
38.91
LogP / Solubility
WLOGP
1.03
MLOGP
0.9
XLogP3
0.4
Consensus LogP
0.78
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
Class (SILICOS-IT)
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)
-2.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 221137-44-6 [1-(2H-1,3-benzodioxol-5-yl)cyclopropyl]methanamine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
[1-(2H-1,3-benzodioxol-5-yl)cyclopropyl]methanamine
- CAS RN: 221137-44-6
- Product Code: SSC-106390
-
1-[(TERT-BUTYL)OXYCARBONYL]-4-PHENYLPYRROLINE-3-CARBOXYLIC ACID
- CAS RN: 221142-28-5
- Product Code: SSC-106391
-
(3-Fluoro-phenyl)-propynoic acid methyl ester
- CAS RN: 221148-38-5
- Product Code: SSC-106392
-
2-(4-ETHOXYFENYL)-3-(4-MESYLFENYL)PYRAZOLO[1,5-B]PYRIDAZINE
- CAS RN: 221148-46-5
- Product Code: starshine_CAS221148-46-5
- Purity/Analytical method: >99.0%
-
-
![CAS 221137-44-6 [1-(2H-1,3-benzodioxol-5-yl)cyclopropyl]methanamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/221137-44-6.gif)
![CAS 221142-28-5 1-[(TERT-BUTYL)OXYCARBONYL]-4-PHENYLPYRROLINE-3-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/221142-28-5.gif)
![CAS 221148-46-5 2-(4-ETHOXYFENYL)-3-(4-MESYLFENYL)PYRAZOLO[1,5-B]PYRIDAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/221148-46-5.gif)
