CAS RN: 2543-94-4
phellopterin
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: starshine_CAS2543-94-4
- Purity/Analytical Methods: >99.0%
2543-94-4 / 4-methoxy-9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one
Basic Information
CAS
2543-94-4
Multi CAS
Yes
Molecular Formula
C17H16O5
Molecular Weight
300.300000
Exact Mass
300.099774
InChI
InChI=1S/C17H16O5/c1-10(2)6-8-21-17-15-12(7-9-20-15)14(19-3)11-4-5-13(18)22-16(11)17/h4-7,9H,8H2,1-3H3
InChIKey
BMLZFLQMBMYVHG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
13
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
83.73
TPSA
61.81
LogP / Solubility
WLOGP
3.89
MLOGP
3.44
XLogP3
3.8
Consensus LogP
3.71
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.32
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)
-1.79
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
2.5
Customers Also Viewed
-
(S)-4-METHOXYDALBERGIONE
- CAS RN: 2543-95-5
- Product Code: starshine_CAS2543-95-5
- Purity/Analytical method: >99.0%
-
Acetic acid, chloro-, 2-carboxyhydrazide tert-butyl ester (8CI)
- CAS RN: 25441-40-1
- Product Code: SSC-121390
-
2-Amino-3-[(4-methoxybenzyl)thio]propanoic acid
- CAS RN: 2544-31-2
- Product Code: SSC-121388
-
-
-
AFZELECHIN
- CAS RN: 2545-00-8
- Product Code: starshine_CAS2545-00-8
- Purity/Analytical method: >99.0%
![CAS 2544-31-2 2-Amino-3-[(4-methoxybenzyl)thio]propanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2544-31-2.gif)
