CAS RN: 51069-84-2
4-CHLORO-3-FORMYL-6-METHYLCOUMARIN&
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: starshine_CAS51069-84-2
- Purity/Analytical Methods: >99.0%
51069-84-2 / 4-chloro-6-methyl-2-oxochromene-3-carbaldehyde
Basic Information
CAS
51069-84-2
Multi CAS
No
Molecular Formula
C11H7CLO3
Molecular Weight
222.620000
Exact Mass
222.008372
InChI
InChI=1S/C11H7ClO3/c1-6-2-3-9-7(4-6)10(12)8(5-13)11(14)15-9/h2-5H,1H3
InChIKey
HXSVKJZDKJJYAF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
57.62
TPSA
47.28
LogP / Solubility
WLOGP
2.57
MLOGP
2.26
XLogP3
2.3
Consensus LogP
2.38
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.36
Class (SILICOS-IT)
Poorly 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)
-2.26
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
1.5
Customers Also Viewed
-
(1,1-DIOXO-TETRAHYDRO-1LAMBDA6-THIOPHEN-3-YL)-METHYL-AMINE
- CAS RN: 51070-55-4
- Product Code: starshine_CAS51070-55-4
- Purity/Analytical method: >99.0%
-
[(1,1-DIOXIDOTETRAHYDROTHIEN-3-YL)AMINO]ACETIC ACID
- CAS RN: 51070-56-5
- Product Code: starshine_CAS51070-56-5
- Purity/Analytical method: >99.0%
-
N-[2-(1-cyclohexen-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide
- CAS RN: 51072-34-5
- Product Code: SSC-157849
-
1,2,3,4,5,6,7,8-octahydro-1-[(4-methoxyphenyl)methyl]isoquinoline
- CAS RN: 51072-36-7
- Product Code: SSC-157850
-
-
![CAS 51070-56-5 [(1,1-DIOXIDOTETRAHYDROTHIEN-3-YL)AMINO]ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/51070-56-5.gif)
![CAS 51072-34-5 N-[2-(1-cyclohexen-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/51072-34-5.gif)
![CAS 51072-36-7 1,2,3,4,5,6,7,8-octahydro-1-[(4-methoxyphenyl)methyl]isoquinoline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/51072-36-7.gif)
