CAS RN: 169209-25-0
2-(Benzyloxy)-5-forMylbenzoic 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.20251021 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS169209-25-0
- Purity/Analytical Methods: >99.0%
169209-25-0 / 5-formyl-2-phenylmethoxybenzoic acid
Basic Information
CAS
169209-25-0
Multi CAS
No
Molecular Formula
C15H12O4
Molecular Weight
256.250000
Exact Mass
256.073559
SMILES
C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=O)C(=O)O
InChI
InChI=1S/C15H12O4/c16-9-12-6-7-14(13(8-12)15(17)18)19-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,17,18)
InChIKey
FTTVXHXKTPOQDV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.56
TPSA
63.6
LogP / Solubility
WLOGP
2.78
MLOGP
2.45
XLogP3
2.4
Consensus LogP
2.54
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.23
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
(2R,4R)-APDC
- CAS RN: 169209-63-6
- Product Code: starshine_CAS169209-63-6
- Purity/Analytical method: >99.0%
-
6-broMo-2-phenylindolizine
- CAS RN: 169210-37-1
- Product Code: starshine_CAS169210-37-1
- Purity/Analytical method: >99.0%
-
(3-(trifluoroMethyl)-1H-pyrazol-5-yl)Methanol
- CAS RN: 169213-73-4
- Product Code: SSC-073837
-
2-(benzyloxy)-5-broMo-1-trifluoroMethylbenzene
- CAS RN: 169247-46-5
- Product Code: SSC-073861
-
BOC-(TRANS)-4-(3-TRIFLUOROMETHYL-PHENYL)-PYRROLIDINE-3-CARBOXYLIC ACID
- CAS RN: 169248-97-9
- Product Code: starshine_CAS169248-97-9
- Purity/Analytical method: >99.0%
-
