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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
19520-74-2 / methyl 3-hydroxy-5-methoxybenzoate
Basic Information
CAS
19520-74-2
Multi CAS
No
Molecular Formula
C9H10O4
Molecular Weight
182.170000
Exact Mass
182.057909
SMILES
COC1=CC(=CC(=C1)O)C(=O)OC
InChI
InChI=1S/C9H10O4/c1-12-8-4-6(9(11)13-2)3-7(10)5-8/h3-5,10H,1-2H3
InChIKey
MNWFENBPJIWZOZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
46
TPSA
55.76
LogP / Solubility
WLOGP
1.19
MLOGP
1.04
XLogP3
1.8
Consensus LogP
1.34
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.07
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)
-2.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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DIHYDRIDOTETRAKIS(TRIPHENYLPHOSPHINE)RUTHENIUM(II)
- CAS RN: 19529-00-1
- Product Code: SSC-092109
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