CAS RN: 168169-98-0
(E)-3-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-methylacrylic acid
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.20260622 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS168169-98-0
- Purity/Analytical Methods: >99.0%
168169-98-0 / (E)-3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylprop-2-enoic acid
Basic Information
CAS
168169-98-0
Multi CAS
No
Molecular Formula
C16H20O4
Molecular Weight
276.330000
Exact Mass
276.136159
SMILES
C/C(=C\C1=CC(=C(C=C1)OC)OC2CCCC2)/C(=O)O
InChI
InChI=1S/C16H20O4/c1-11(16(17)18)9-12-7-8-14(19-2)15(10-12)20-13-5-3-4-6-13/h7-10,13H,3-6H2,1-2H3,(H,17,18)/b11-9+
InChIKey
TWMCIJDQYXIRRL-PKNBQFBNSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
77.16
TPSA
55.76
LogP / Solubility
WLOGP
3.5
MLOGP
3.09
XLogP3
3.5
Consensus LogP
3.36
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.96
Class (SILICOS-IT)
Slightly 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)
-1.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
Phyllanthurinolactone
- CAS RN: 168180-12-9
- Product Code: starshine_CAS168180-12-9
- Purity/Analytical method: >99.0%
-
(4S,5R)-3-(FMOC-VAL)-2,2,5-TRIMETHYL-OXAZOLIDINE-4-CARBOXYLIC ACID
- CAS RN: 168216-05-5
- Product Code: SSC-073333
-
2-C-(2,3,4,6-Tetra-O-benzyl-b-D-glucopyranosyl) ethyne
- CAS RN: 168253-07-4
- Product Code: SSC-073334
-
1,2-Pyrrolidinedicarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, 2-methyl 1-(phenylmethyl) ester, (2S,4S)-
- CAS RN: 168263-80-7
- Product Code: SSC-073343
-
(2S,4S)-4-BOC-AMINO PYRROLIDINE-2-CARBOXYLIC ACID METHYLESTER-HCL
- CAS RN: 168263-82-9
- Product Code: SSC-073344
-
2-bromo-N-(tert-butyl)benzamide
- CAS RN: 168265-57-4
- Product Code: starshine_CAS168265-57-4
- Purity/Analytical method: >99.0%
![CAS 168263-80-7 1,2-Pyrrolidinedicarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, 2-methyl 1-(phenylmethyl) ester, (2S,4S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/168263-80-7.gif)
