CAS RN: 22612-27-7
(22R)-2β,3β,20,22,25-Pentahydroxy-5β-cholesta-8,14-dien-6-one
Product Availability
Choose a grade to view its available package options.
6 package records0 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250118 | 5mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS22612-27-7
- Purity/Analytical Methods: >99.0%
22612-27-7 / (2S,3R,5R,10S,13R,17S)-2,3-dihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,4,5,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-6-one
Basic Information
CAS
22612-27-7
Multi CAS
No
Molecular Formula
C27H42O6
Molecular Weight
462.600000
Exact Mass
462.298139
SMILES
C[C@]12CCC3=C(C1=CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C
InChI
InChI=1S/C27H42O6/c1-24(2,32)10-9-23(31)27(5,33)22-7-6-16-15-12-19(28)18-13-20(29)21(30)14-26(18,4)17(15)8-11-25(16,22)3/h6,18,20-23,29-33H,7-14H2,1-5H3/t18-,20+,21-,22-,23+,25-,26+,27+/m0/s1
InChIKey
AEFMTBQZWMUASH-IILZZRPCSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Fraction Csp3
0.81
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
5
Molar refractivity
125.19
TPSA
118.22
LogP / Solubility
WLOGP
2.8
MLOGP
2.5
XLogP3
0.9
Consensus LogP
2.07
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.59
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7
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ETHYL 5-FLUORONICOTINATE
- CAS RN: 22620-29-7
- Product Code: starshine_CAS22620-29-7
- Purity/Analytical method: >99.0%
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