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 |
33209-75-5 / 4-(2-methoxyphenyl)butanoic acid
Basic Information
CAS
33209-75-5
Multi CAS
No
Molecular Formula
C11H14O3
Molecular Weight
194.230000
Exact Mass
194.094294
InChI
InChI=1S/C11H14O3/c1-14-10-7-3-2-5-9(10)6-4-8-11(12)13/h2-3,5,7H,4,6,8H2,1H3,(H,12,13)
InChIKey
DEOJMVLFGSPFIZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.57
TPSA
46.53
LogP / Solubility
WLOGP
2.1
MLOGP
1.85
XLogP3
2.5
Consensus LogP
2.15
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.27
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)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
4-(Methoxycarbonyl)bicyclo[2.2.2]octan-1-carboxylic Acid
- CAS RN: 18720-35-9
- Product Code: SSC-086990
-
-
-
-
4-[(4-Methyl-1-piperazinyl)methyl]benzoic Acid Dihydrochloride
- CAS RN: 106261-49-8
- Product Code: SSC-008021
![CAS 18720-35-9 4-(Methoxycarbonyl)bicyclo[2.2.2]octan-1-carboxylic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/m2855-jpgcontextbwfzdgvyfhjvb3r8mza1nzv8aw1hz2uvanblz3xoytkvagnllzg5mze2mdu5mzgymdyvtti4ntuuanbnfgeyzgm1mde1nznhotvmyzq4ztewmjnmzmnimdu1otyzzwezntq0zwu3yze3yzblnzcymzk0mtg4mmy1yze5mti.jpeg)
![CAS 106261-49-8 4-[(4-Methyl-1-piperazinyl)methyl]benzoic Acid Dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/m2110-jpgcontextbwfzdgvyfhjvb3r8mzc3nzh8aw1hz2uvanblz3xomdmvadiwlzg5mze1mdewmtuwnzavttixmtauanbnfdm1otcyyzeznwu4mwzjzwi1mzrjmdg4mmu4mdcxzmjjndcwodjkzwjjmdk5m2rkodzjmgnlnji2njrinjviytg.jpeg)