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 | Beijing | Inquiry |
90345-24-7 / 2-amino-1-pyridin-2-ylethanol;dihydrochloride
Basic Information
CAS
90345-24-7
Multi CAS
No
Molecular Formula
C7H12CL2N2O
Molecular Weight
211.090000
Exact Mass
210.032668
InChI
InChI=1S/C7H10N2O.2ClH/c8-5-7(10)6-3-1-2-4-9-6;;/h1-4,7,10H,5,8H2;2*1H
InChIKey
LMMBKRHVAWXTOW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
52.75
TPSA
59.14
LogP / Solubility
WLOGP
0.92
MLOGP
0.81
XLogP3
0.92
Consensus LogP
0.88
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
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)
-3.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
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5-ACETOXYMETHYL-2-FURANCARBOXYLIC ACID
- CAS RN: 90345-66-7
- Product Code: starshine_CAS90345-66-7
- Purity/Analytical method: >99.0%
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