CAS RN: 86606-14-6
6-Benzoyl-5,7-dihydroxy-2,2-diMethylchroMane
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250901 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS86606-14-6
- Purity/Analytical Methods: >99.0%
86606-14-6 / (5,7-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-phenylmethanone
Basic Information
CAS
86606-14-6
Multi CAS
No
Molecular Formula
C18H18O4
Molecular Weight
298.300000
Exact Mass
298.120509
InChI
InChI=1S/C18H18O4/c1-18(2)9-8-12-14(22-18)10-13(19)15(17(12)21)16(20)11-6-4-3-5-7-11/h3-7,10,19,21H,8-9H2,1-2H3
InChIKey
IZKXPLQWLQOBPG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
82.67
TPSA
66.76
LogP / Solubility
WLOGP
3.43
MLOGP
3.03
XLogP3
4.1
Consensus LogP
3.52
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
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)
-2.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
2,6-dichloro-3-methoxyphenol
- CAS RN: 86607-60-5
- Product Code: starshine_CAS86607-60-5
- Purity/Analytical method: >99.0%
-
4-NITRODIBENZOFURAN
- CAS RN: 86607-81-0
- Product Code: starshine_CAS86607-81-0
- Purity/Analytical method: >99.0%
-
2-Dibenzofuranmethanol
- CAS RN: 86607-82-1
- Product Code: starshine_CAS86607-82-1
- Purity/Analytical method: >99.0%
-
Carbamic acid, [1-(fluoromethyl)-3-hydroxypropyl]-, 1,1-dimethylethyl ester
- CAS RN: 86617-89-2
- Product Code: SSC-195828
-
4-(PIPERAZINOMETHYL)BENZOIC ACID, DIHYDROCHLORIDE
- CAS RN: 86620-70-4
- Product Code: SSC-195830
-
![CAS 86617-89-2 Carbamic acid, [1-(fluoromethyl)-3-hydroxypropyl]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/86617-89-2.gif)
