![CAS 1190363-44-0 (9R)-9-hydroxy-6,7,8,9-tetrahydrocyclohepta[b]pyridin-5-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1190363-44-0.gif)
CAS RN: 1190363-44-0
(9R)-9-hydroxy-6,7,8,9-tetrahydrocyclohepta[b]pyridin-5-one
- Product code: SSC-019473
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 | Beijing | Inquiry |
1190363-44-0 / (9R)-9-hydroxy-6,7,8,9-tetrahydrocyclohepta[b]pyridin-5-one
(9R)-6,7,8,9-Tetrahydro-9-hydroxy-5H-cyclohepta[b]pyridin-5-one | SN8HPZ7WQL | (9R)-6,7,8,9-Tetrahydro-9-hydroxy-5H-cyclohepta(b)pyridin-5-one
Basic Information
CAS
1190363-44-0
Multi CAS
Yes
Molecular Formula
C10H11NO2
Molecular Weight
177.200000
Exact Mass
177.078979
SMILES
C1C[C@H](C2=C(C=CC=N2)C(=O)C1)O
InChI
InChI=1S/C10H11NO2/c12-8-4-1-5-9(13)10-7(8)3-2-6-11-10/h2-3,6,9,13H,1,4-5H2/t9-/m1/s1
InChIKey
ZZNXHQSAOHUNDA-SECBINFHSA-N
Synonyms
(9R)-6,7,8,9-Tetrahydro-9-hydroxy-5H-cyclohepta[b]pyridin-5-one
SN8HPZ7WQL
(9R)-6,7,8,9-Tetrahydro-9-hydroxy-5H-cyclohepta(b)pyridin-5-one
RefChem:1050756
(R)-9-hydroxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-one
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.38
TPSA
50.19
LogP / Solubility
WLOGP
1.48
MLOGP
1.3
XLogP3
0.2
Consensus LogP
0.99
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.04
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)
-2.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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