CAS RN: 5087-21-8
trans-2-(4-methoxyphenyl)cyclopropane-1-carboxylic acid
- Product code: SSC-157614
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: ≥95%
- Inventory rows with stock: 8
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | -- | 5 In Stock | Shanghai | Inquiry |
| 0.1g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 0.25g | -- | 5 In Stock | Shanghai | Inquiry |
| 0.25g | ≥95% | 5 In Stock | Shanghai | Inquiry |
| 1g | -- | 5 In Stock | Shanghai | Inquiry |
| 1g | ≥95% | 5 In Stock | Hong Kong | Inquiry |
| 5g | -- | 5 In Stock | Shanghai | Inquiry |
| 5g | ≥95% | 5 In Stock | Shenzhen | Inquiry |
5087-21-8 / trans-(1R,2R)-2-(4-methoxyphenyl)cyclopropane-1-carboxylic acid
Basic Information
CAS
5087-21-8
Multi CAS
Yes
Molecular Formula
C11H12O3
Molecular Weight
192.210000
Exact Mass
192.078644
InChI
InChI=1S/C11H12O3/c1-14-8-4-2-7(3-5-8)9-6-10(9)11(12)13/h2-5,9-10H,6H2,1H3,(H,12,13)/t9-,10+/m0/s1
InChIKey
CCTYOCDEILYYEF-VHSXEESVSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.48
TPSA
46.53
LogP / Solubility
WLOGP
1.88
MLOGP
1.66
XLogP3
1.6
Consensus LogP
1.71
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
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)
-2.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
neoliquiritin
- CAS RN: 5088-75-5
- Product Code: starshine_CAS5088-75-5
- Purity/Analytical method: >99.0%
-
Liensinine diperchlorate
- CAS RN: 5088-90-4
- Product Code: starshine_CAS5088-90-4
- Purity/Analytical method: >99.0%
-
METHYL-6-CYANO NAPHTHALENE-2-CARBOXYLATE
- CAS RN: 5088-91-5
- Product Code: starshine_CAS5088-91-5
- Purity/Analytical method: >99.0%
-
8-IODONAPHTHALENE-2-CARBOXYLIC ACID
- CAS RN: 5088-94-8
- Product Code: starshine_CAS5088-94-8
- Purity/Analytical method: >99.0%
-
-
