CAS RN: 1227564-18-2
(2-Chloro-3-methoxy-pyridin-4-yl)-methanol
- Product code: SSC-026015
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1227564-18-2 / (2-chloro-3-methoxy-4-pyridinyl)methanol
Basic Information
CAS
1227564-18-2
Multi CAS
No
Molecular Formula
C7H8ClNO2
Molecular Weight
173.600000
Exact Mass
173.024356
SMILES
COC1=C(C=CN=C1Cl)CO
InChI
InChI=1S/C7H8ClNO2/c1-11-6-5(4-10)2-3-9-7(6)8/h2-3,10H,4H2,1H3
InChIKey
FYBHRBMUSIQFMV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.72
TPSA
42.35
LogP / Solubility
WLOGP
1.24
MLOGP
1.08
XLogP3
0.9
Consensus LogP
1.07
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.05
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)
-2.9
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
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- CAS RN: 1227571-99-4
- Product Code: starshine_CAS1227571-99-4
- Purity/Analytical method: >99.0%
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