![CAS 72901-16-7 Bisacodyl Related Compound C (20 mg) (4-[(4-Hydroxyphenyl)(pyridin-2-yl)methyl]phenyl acetate) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/72901-16-7.gif)
CAS RN: 72901-16-7
Bisacodyl Related Compound C (20 mg) (4-[(4-Hydroxyphenyl)(pyridin-2-yl)methyl]phenyl acetate)
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.20260216 | 20mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS72901-16-7
- Purity/Analytical Methods: >99.0%
72901-16-7 / [4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenyl] acetate
Basic Information
CAS
72901-16-7
Multi CAS
No
Molecular Formula
C20H17NO3
Molecular Weight
319.400000
Exact Mass
319.120843
InChI
InChI=1S/C20H17NO3/c1-14(22)24-18-11-7-16(8-12-18)20(19-4-2-3-13-21-19)15-5-9-17(23)10-6-15/h2-13,20,23H,1H3
InChIKey
IGNJZSFTZVUILA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
91.04
TPSA
59.42
LogP / Solubility
WLOGP
3.89
MLOGP
3.44
XLogP3
3.7
Consensus LogP
3.68
Log S (ESOL)
-4.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.45
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.9
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
3
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