![CAS 6272-45-3 3-[4-(BENZYLOXY)PHENYL]ACRYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/6272-45-3.gif)
CAS RN: 6272-45-3
3-[4-(BENZYLOXY)PHENYL]ACRYLIC 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.20251225 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS6272-45-3
- Purity/Analytical Methods: >99.0%
6272-45-3 / 3-(4-phenylmethoxyphenyl)prop-2-enoic acid
Basic Information
CAS
6272-45-3
Multi CAS
Yes
Molecular Formula
C16H14O3
Molecular Weight
254.280000
Exact Mass
254.094294
InChI
InChI=1S/C16H14O3/c17-16(18)11-8-13-6-9-15(10-7-13)19-12-14-4-2-1-3-5-14/h1-11H,12H2,(H,17,18)/b11-8+
InChIKey
HCMSDYVKYZIYGA-DHZHZOJOSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.06
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
73.89
TPSA
46.53
LogP / Solubility
WLOGP
3.36
MLOGP
2.97
XLogP3
3.2
Consensus LogP
3.18
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.7
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)
-1.88
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
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- Product Code: starshine_CAS6272-55-5
- Purity/Analytical method: >99.0%
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