CAS RN: 60133-18-8
1(ALPHA) 25-DIHYDROXYVITAMIN D2*
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: starshine_CAS60133-18-8
- Purity/Analytical Methods: >99.0%
60133-18-8 / 5-[2-[1-(6-hydroxy-5,6-dimethylhept-3-en-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Basic Information
CAS
60133-18-8
Multi CAS
Yes
Molecular Formula
C28H44O3
Molecular Weight
428.600000
Exact Mass
428.329045
InChI
InChI=1S/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19+,23-,24-,25+,26+,28-/m1/s1
InChIKey
ZGLHBRQAEXKACO-XJRQOBMKSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Fraction Csp3
0.71
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
128.49
TPSA
60.69
LogP / Solubility
WLOGP
5.73
MLOGP
5.07
XLogP3
4.9
Consensus LogP
5.23
Log S (ESOL)
-5.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.8
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
Customers Also Viewed
-
-
-
5-(3-THIENYL)THIOPHENE-2-CARBOXYLIC ACID
- CAS RN: 60141-31-3
- Product Code: starshine_CAS60141-31-3
- Purity/Analytical method: >99.0%
-
GABAPENTIN-D6 HYDROCHLORIDE
- CAS RN: 60142-95-2
- Product Code: starshine_CAS60142-95-2
- Purity/Analytical method: >99.0%
-
BOC-CYS(TBU)-OH
- CAS RN: 60143-30-8
- Product Code: starshine_CAS60143-30-8
- Purity/Analytical method: >99.0%
-
