CAS RN: 57351-00-5
(6-METHOXY-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YL)-ACETIC ACID
- Product code: SSC-165460
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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | ＞95% | 0 Out of Stock | Shenzhen | Inquiry |
57351-00-5 / 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid
Basic Information
CAS
57351-00-5
Multi CAS
No
Molecular Formula
C13H16O3
Molecular Weight
220.260000
Exact Mass
220.109944
InChI
InChI=1S/C13H16O3/c1-16-12-5-4-10-6-9(7-13(14)15)2-3-11(10)8-12/h4-5,8-9H,2-3,6-7H2,1H3,(H,14,15)
InChIKey
HFCQYKCGYMWUAH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.76
TPSA
46.53
LogP / Solubility
WLOGP
2.27
MLOGP
2
XLogP3
2.5
Consensus LogP
2.26
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
Class (SILICOS-IT)
Poorly 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)
-2.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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4-(4-METHOXYPHENYL)-1-(2H)-PHTHALAZINON&
- CAS RN: 57353-93-2
- Product Code: starshine_CAS57353-93-2
- Purity/Analytical method: >99.0%
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