CAS RN: 1188282-00-9
9-Hydroxydarutigel
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.20260113 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1188282-00-9
- Purity/Analytical Methods: >99.0%
1188282-00-9 / (2R,4aR,4bS,7S,10aR)-7-[(1R)-1,2-dihydroxyethyl]-1,1,4a,7-tetramethyl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-2,4b-diol
(2S,4aS,4bR,7R,8aR)-2-[(1R)-1,2-Dihydroxyethyl]-3,4,4b,5,6,7,8,8a,9,10-decahydro-2,4b,8,8-tetramethyl-4a,7(2H)-phenanthrenediol | (2S,4aS,4bR,7R,8aR)-2-((1R)-1,2-Dihydroxyethyl)-3,4,4b,5,6,7,8,8a,9,10-decahydro-2,4b,8,8-tetramethyl-4a,7(2H)-phenanthrenediol | RefChem:207151
Basic Information
CAS
1188282-00-9
Multi CAS
Yes
Molecular Formula
C20H34O4
Molecular Weight
338.500000
Exact Mass
338.245710
SMILES
C[C@@]1(CC[C@@]2(C(=C1)CC[C@H]3[C@]2(CC[C@H](C3(C)C)O)C)O)[C@H](CO)O
InChI
InChI=1S/C20H34O4/c1-17(2)14-6-5-13-11-18(3,16(23)12-21)9-10-20(13,24)19(14,4)8-7-15(17)22/h11,14-16,21-24H,5-10,12H2,1-4H3/t14-,15-,16+,18+,19-,20+/m1/s1
InChIKey
PHRLIXFEBORQQV-OWJTWYAJSA-N
Synonyms
(2S,4aS,4bR,7R,8aR)-2-[(1R)-1,2-Dihydroxyethyl]-3,4,4b,5,6,7,8,8a,9,10-decahydro-2,4b,8,8-tetramethyl-4a,7(2H)-phenanthrenediol
(2S,4aS,4bR,7R,8aR)-2-((1R)-1,2-Dihydroxyethyl)-3,4,4b,5,6,7,8,8a,9,10-decahydro-2,4b,8,8-tetramethyl-4a,7(2H)-phenanthrenediol
RefChem:207151
9-Hydroxydarutigenol
9-Hydroxydarutigel
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
4
Molar refractivity
93.32
TPSA
80.92
LogP / Solubility
WLOGP
2.39
MLOGP
2.12
XLogP3
1.9
Consensus LogP
2.14
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.09
Class (SILICOS-IT)
Slightly 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)
-3.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
5.5
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