CAS RN: 839711-70-5
2,7-Dimethyl-1,4-dihydroxynaphthalene 1-O-glucoside
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.20250217 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS839711-70-5
- Purity/Analytical Methods: >99.0%
839711-70-5 / (2S,3R,4S,5S,6R)-2-(4-hydroxy-2,7-dimethylnaphthalen-1-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Basic Information
CAS
839711-70-5
Multi CAS
Yes
Molecular Formula
C18H22O7
Molecular Weight
350.400000
Exact Mass
350.136553
InChI
InChI=1S/C18H22O7/c1-8-3-4-10-11(5-8)17(9(2)6-12(10)20)25-18-16(23)15(22)14(21)13(7-19)24-18/h3-6,13-16,18-23H,7H2,1-2H3/t13-,14-,15+,16-,18+/m1/s1
InChIKey
ZMEFPRRKVCVENF-QFXBJFAPSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
10
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
5
Molar refractivity
89.48
TPSA
119.61
LogP / Solubility
WLOGP
0.34
MLOGP
0.32
XLogP3
1.4
Consensus LogP
0.69
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
Customers Also Viewed
-
1-(2,3-DICHLOROPHENYL)-1,4-DIAZEPANE HCL
- CAS RN: 839712-09-3
- Product Code: starshine_CAS839712-09-3
- Purity/Analytical method: >99.0%
-
-
-
1-[3-(4-Bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea
- CAS RN: 839713-36-9
- Product Code: starshine_CAS839713-36-9
- Purity/Analytical method: >99.0%
-
1-Isopropylpyrazole-5-boronic Acid
- CAS RN: 839714-33-9
- Product Code: starshine_CAS839714-33-9
- Purity/Analytical method: >99.0%
-
Chloro[1,3-bis(t-butyl)-2H-imidazol-2-ylidene]gold(I)
- CAS RN: 839722-07-5
- Product Code: starshine_CAS839722-07-5
- Purity/Analytical method: >99.0%
![CAS 839713-36-9 1-[3-(4-Bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/839713-36-9.gif)
![CAS 839722-07-5 Chloro[1,3-bis(t-butyl)-2H-imidazol-2-ylidene]gold(I) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/839722-07-5.gif)