CAS RN: 1292290-97-1
(3S)-3-(4-Hydroxyphenyl)-4-hexynoic acid ethyl ester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250318 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1292290-97-1
- Purity/Analytical Methods: >99.0%
1292290-97-1 / ethyl (3S)-3-(4-hydroxyphenyl)hex-4-ynoate
Basic Information
CAS
1292290-97-1
Multi CAS
No
Molecular Formula
C14H16O3
Molecular Weight
232.270000
Exact Mass
232.109944
SMILES
CCOC(=O)C[C@H](C#CC)C1=CC=C(C=C1)O
InChI
InChI=1S/C14H16O3/c1-3-5-12(10-14(16)17-4-2)11-6-8-13(15)9-7-11/h6-9,12,15H,4,10H2,1-2H3/t12-/m0/s1
InChIKey
IHSMNXDTRPKCCG-LBPRGKRZSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.55
TPSA
46.53
LogP / Solubility
WLOGP
2.45
MLOGP
2.16
XLogP3
2.6
Consensus LogP
2.4
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
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)
-2.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
![CAS 1292296-09-3 (3S,8R,9S,12S)-3,12-Bis(1,1-diMethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylMethyl)-6-[[4-(2-pyridinyl)phenyl]Methyl]-,2,5,6,10,13-pentaazatetradecanedioic Acid 1,14-DiMethyl Ester molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(3S,8R,9S,12S)-3,12-Bis(1,1-diMethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylMethyl)-6-[[4-(2-pyridinyl)phenyl]Methyl]-,2,5,6,10,13-pentaazatetradecanedioic Acid 1,14-DiMethyl Ester
- CAS RN: 1292296-09-3
- Product Code: starshine_CAS1292296-09-3
- Purity/Analytical method: >99.0%
-
TASP0415914
- CAS RN: 1292300-75-4
- Product Code: starshine_CAS1292300-75-4
- Purity/Analytical method: >99.0%
-
4,8-di(5-carbaldehydethiophene-2-yl)benzo[1,2-c:4,5-c’]bis[1,2,5]thiadiazole
- CAS RN: 1292303-62-8
- Product Code: starshine_CAS1292303-62-8
- Purity/Analytical method: >99.0%
-
IKK epsilon-IN-1
- CAS RN: 1292310-49-6
- Product Code: starshine_CAS1292310-49-6
- Purity/Analytical method: >99.0%
-
2-(tetrahydro-2H-pyran-4-yloxy)-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
- CAS RN: 1292317-54-4
- Product Code: SSC-036342
-
4-(2-chloropyriMidin-4-yl)aniline
- CAS RN: 1292318-07-0
- Product Code: starshine_CAS1292318-07-0
- Purity/Analytical method: >99.0%
![CAS 1292296-09-3 (3S,8R,9S,12S)-3,12-Bis(1,1-diMethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylMethyl)-6-[[4-(2-pyridinyl)phenyl]Methyl]-,2,5,6,10,13-pentaazatetradecanedioic Acid 1,14-DiMethyl Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1292296-09-3.gif)
![CAS 1292303-62-8 4,8-di(5-carbaldehydethiophene-2-yl)benzo[1,2-c:4,5-c’]bis[1,2,5]thiadiazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1292303-62-8.gif)
