CAS RN: 72916-61-1
O-Methylcedrelopsin
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.20250113 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS72916-61-1
- Purity/Analytical Methods: >99.0%
72916-61-1 / 6,7-dimethoxy-8-(3-methylbut-2-enyl)chromen-2-one
Basic Information
CAS
72916-61-1
Multi CAS
Yes
Molecular Formula
C16H18O4
Molecular Weight
274.310000
Exact Mass
274.120509
InChI
InChI=1S/C16H18O4/c1-10(2)5-7-12-15-11(6-8-14(17)20-15)9-13(18-3)16(12)19-4/h5-6,8-9H,7H2,1-4H3
InChIKey
NNBURDJZOIAAHY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
10
Fraction Csp3
0.31
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
78.72
TPSA
48.67
LogP / Solubility
WLOGP
3.32
MLOGP
2.93
XLogP3
3.8
Consensus LogP
3.35
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.68
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)
-2.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
(Z)-Butylidenephthalide
- CAS RN: 72917-31-8
- Product Code: starshine_CAS72917-31-8
- Purity/Analytical method: >99.0%
-
2,5-DiMethyl-4-aMinobenzonitrile
- CAS RN: 72917-37-4
- Product Code: starshine_CAS72917-37-4
- Purity/Analytical method: >99.0%
-
2-methoxy-6-methylnicotinonitrile(SALTDATA: FREE)
- CAS RN: 72918-03-7
- Product Code: SSC-182387
-
-
N-methyl-4-phenoxyaniline
- CAS RN: 72920-03-7
- Product Code: starshine_CAS72920-03-7
- Purity/Analytical method: >99.0%
-
