CAS RN: 118266-99-2
IsodorsManin A
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.20250823 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS118266-99-2
- Purity/Analytical Methods: >99.0%
118266-99-2 / (E)-1-(5-hydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one
Crotmadine | (E)-1-(8-hydroxy-2,2-dimethyl-3,4-dihydrochromen-5-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one | RefChem:919212
Basic Information
CAS
118266-99-2
Multi CAS
Yes
Molecular Formula
C20H20O4
Molecular Weight
324.400000
Exact Mass
324.136159
SMILES
CC1(CCC2=C(C=CC(=C2O1)C(=O)/C=C/C3=CC=C(C=C3)O)O)C
InChI
InChI=1S/C20H20O4/c1-20(2)12-11-16-18(23)10-8-15(19(16)24-20)17(22)9-5-13-3-6-14(21)7-4-13/h3-10,21,23H,11-12H2,1-2H3/b9-5+
InChIKey
SEDVPKQZRCGYNR-WEVVVXLNSA-N
Synonyms
Crotmadine
(E)-1-(8-hydroxy-2,2-dimethyl-3,4-dihydrochromen-5-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one
RefChem:919212
(e)-1-(8-hydroxy-2,2-dimethylchroman-5-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one
SCHEMBL15620335
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
92.61
TPSA
66.76
LogP / Solubility
WLOGP
4.1
MLOGP
3.62
XLogP3
4
Consensus LogP
3.91
Log S (ESOL)
-4.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.53
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
-
-
-
-
-
-
DDAO
- CAS RN: 118290-05-4
- Product Code: starshine_CAS118290-05-4
- Purity/Analytical method: >99.0%
